K204-0043 Screening compound: 5-{N'-[(Z)-[3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]hydrazinecarbonyl}-N-(pyridin-2-yl)-1H-imidazole-4-carboxamide

K204-0043 Screening compound: 5-{N'-[(Z)-[3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]hydrazinecarbonyl}-N-(pyridin-2-yl)-1H-imidazole-4-carboxamide
K204-0043 Screening compound: 5-{N'-[(Z)-[3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]hydrazinecarbonyl}-N-(pyridin-2-yl)-1H-imidazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K204-0043
5-{N'-[(Z)-[3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]hydrazinecarbonyl}-N-(pyridin-2-yl)-1H-imidazole-4-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K204-0043

Molecular Formula

C33H40N6O7 (C33 H40 N6 O7)

Compound Name

5-{N'-[(Z)-[3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]hydrazinecarbonyl}-N-(pyridin-2-yl)-1H-imidazole-4-carboxamide

IUPAC name

5-{N'-[(Z)-[(3bR7R9bS)-3a5a7-trihydroxy-11a-methyl-1-(5-oxo-25-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]hydrazinecarbonyl}-N-(pyridin-2-yl)-1H-imidazole-4-carboxamide

SMILES

CC(CC[C@@H]([C@H]1CCC2(C[C@@H](CC3)O)O)C23/C=N\NC(c2c(C(Nc3ncccc3)=O)nc[nH]2)=O)(C(CC2)C(CO3)=CC3=O)C12O

InChI

InChI=1S/C33H40N6O7/c1-30-9-6-22-23(33(30,45)12-8-21(30)19-14-25(41)46-16-19)7-11-32(44)15-20(40)5-10-31(22,32)17-37-39-29(43)27-26(35-18-36-27)28(42)38-24-4-2-3-13-34-24/h2-4,13-14,17-18,20-23,40,44-45H,5-12,15-16H2,1H3,(H,35,36)(H,39,43)(H,34,38,42)/t20-,21?,22+,23+,30?,31?,32?,33?/m0/s1

InChI Key

PGHPOWXGDRKIQP-HBXHSVFJSA-N

MDL Number (MFCD)

MFCD02656713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

632.72

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

1.443

Distribution Coefficient, logD

1.422

Water Solubility, LogSw

-3.09

Polar Surface Area

158.659

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

57.60

K204-0043 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Phosphatases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K204-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K204-0043?
Check Price and Availability of K204-0043, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K204-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K204-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K204-0043
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K204-0043 available by request