K087-0012 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]-4-bromobenzohydrazide

K087-0012 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]-4-bromobenzohydrazide
K087-0012 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]-4-bromobenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K087-0012
N'-[(E)-[3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]-4-bromobenzohydrazide

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

K087-0012

Molecular Formula

C30H37BrN2O6 (C30 H37 BrN2 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]-4-bromobenzohydrazide

IUPAC name

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

SMILES

CC(CC[C@@H]([C@H]1CCC2(C[C@@H](CC3)O)O)C23/C=N/NC(c(cc2)ccc2Br)=O)(C(CC2)C(CO3)=CC3=O)C12O

InChI

InChI=1S/C30H37BrN2O6/c1-27-10-7-23-24(30(27,38)13-9-22(27)19-14-25(35)39-16-19)8-12-29(37)15-21(34)6-11-28(23,29)17-32-33-26(36)18-2-4-20(31)5-3-18/h2-5,14,17,21-24,34,37-38H,6-13,15-16H2,1H3,(H,33,36)/t21-,22?,23-,24-,27?,28?,29?,30?/m0/s1

InChI Key

BBIBEWFLADSSMB-HDZIZZMFSA-N

MDL Number (MFCD)

MFCD01538948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

601.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.250

Distribution Coefficient, logD

3.244

Water Solubility, LogSw

-4.33

Polar Surface Area

103.584

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

63.30

K087-0012 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 K087-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K087-0012?
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What is the minimum amount of K087-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K087-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K087-0012
  • 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 K087-0012 available by request