K087-0210 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-tert-butylbenzohydrazide

K087-0210 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-tert-butylbenzohydrazide
K087-0210 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-tert-butylbenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K087-0210
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-tert-butylbenzohydrazide

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

K087-0210

Molecular Formula

C34H46N2O6 (C34 H46 N2 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-tert-butylbenzohydrazide

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-tert-butylbenzohydrazide

SMILES

CC(C)(C)c(cc1)ccc1C(N/N=C/C(CC[C@H](C1)O)([C@@H](CCC2(C)C(CC3)C(CO4)=CC4=O)[C@@H](CC4)C23O)C14O)=O

InChI

InChI=1S/C34H46N2O6/c1-30(2,3)23-7-5-21(6-8-23)29(39)36-35-20-32-14-9-24(37)18-33(32,40)15-11-27-26(32)10-13-31(4)25(12-16-34(27,31)41)22-17-28(38)42-19-22/h5-8,17,20,24-27,37,40-41H,9-16,18-19H2,1-4H3,(H,36,39)/t24-,25?,26+,27+,31?,32?,33?,34?/m0/s1

InChI Key

DWFUTANFWRIQCQ-QHDIRIJNSA-N

MDL Number (MFCD)

MFCD01539012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.75

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

4.211

Distribution Coefficient, logD

4.210

Water Solubility, LogSw

-4.71

Polar Surface Area

103.584

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

67.60

K087-0210 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 K087-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K087-0210?
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What is the minimum amount of K087-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K087-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K087-0210
  • 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 K087-0210 available by request