K087-0166 Screening compound: N'-[(E)-[3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]pyridine-4-carbohydrazide

K087-0166 Screening compound: N'-[(E)-[3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]pyridine-4-carbohydrazide
K087-0166 Screening compound: N'-[(E)-[3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]pyridine-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K087-0166
N'-[(E)-[3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]pyridine-4-carbohydrazide

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

K087-0166

Molecular Formula

C29H37N3O6 (C29 H37 N3 O6)

Compound Name

N'-[(E)-[3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]pyridine-4-carbohydrazide

IUPAC name

N'-[(E)-[(3bR7R9bS)-3a5a7-trihydroxy-11a-methyl-1-(5-oxo-25-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]pyridine-4-carbohydrazide

SMILES

CC(CC[C@@H]([C@H]1CCC2(C[C@@H](CC3)O)O)C23/C=N/NC(c2ccncc2)=O)(C(CC2)C(CO3)=CC3=O)C12O

InChI

InChI=1S/C29H37N3O6/c1-26-8-3-22-23(29(26,37)11-5-21(26)19-14-24(34)38-16-19)4-10-28(36)15-20(33)2-9-27(22,28)17-31-32-25(35)18-6-12-30-13-7-18/h6-7,12-14,17,20-23,33,36-37H,2-5,8-11,15-16H2,1H3,(H,32,35)/t20-,21?,22+,23+,26?,27?,28?,29?/m0/s1

InChI Key

KOOLFLATVPVRQD-AHUUMNLJSA-N

MDL Number (MFCD)

MFCD01538995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.167

Distribution Coefficient, logD

1.163

Water Solubility, LogSw

-2.87

Polar Surface Area

113.012

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

65.50

K087-0166 in Drug Discovery

Included in Screening Libraries

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

References: we are preparing a list of scientific research reports with K087-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K087-0166?
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What is the minimum amount of K087-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K087-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K087-0166
  • 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 K087-0166 available by request