K087-0122 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]-2-(4-fluorophenyl)acetohydrazide

K087-0122 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]-2-(4-fluorophenyl)acetohydrazide
K087-0122 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]-2-(4-fluorophenyl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K087-0122
N'-[(E)-[3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]-2-(4-fluorophenyl)acetohydrazide

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

K087-0122

Molecular Formula

C31H39FN2O6 (C31 H39 FN2 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]-2-(4-fluorophenyl)acetohydrazide

IUPAC name

N'-[(E)-[(3bR7R9bS)-3a5a7-trihydroxy-11a-methyl-1-(5-oxo-25-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]-2-(4-fluorophenyl)acetohydrazide

SMILES

CC(CC[C@@H]([C@H]1CCC2(C[C@@H](CC3)O)O)C23/C=N/NC(Cc(cc2)ccc2F)=O)(C(CC2)C(CO3)=CC3=O)C12O

InChI

InChI=1S/C31H39FN2O6/c1-28-10-7-24-25(31(28,39)13-9-23(28)20-15-27(37)40-17-20)8-12-30(38)16-22(35)6-11-29(24,30)18-33-34-26(36)14-19-2-4-21(32)5-3-19/h2-5,15,18,22-25,35,38-39H,6-14,16-17H2,1H3,(H,34,36)/t22-,23?,24-,25-,28?,29?,30?,31?/m0/s1

InChI Key

ZVUGNPRMQLKNSZ-UKDZOOARSA-N

MDL Number (MFCD)

MFCD01538985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.264

Distribution Coefficient, logD

2.262

Water Solubility, LogSw

-3.60

Polar Surface Area

103.371

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

64.50

K087-0122 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 K087-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K087-0122?
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What is the minimum amount of K087-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K087-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K087-0122
  • 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 K087-0122 available by request