K087-0188 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-hydroxy-3-methoxybenzohydrazide

K087-0188 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-hydroxy-3-methoxybenzohydrazide
K087-0188 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-hydroxy-3-methoxybenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K087-0188
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-hydroxy-3-methoxybenzohydrazide

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

K087-0188

Molecular Formula

C31H40N2O8 (C31 H40 N2 O8)

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-hydroxy-3-methoxybenzohydrazide

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-hydroxy-3-methoxybenzohydrazide

SMILES

CC(CC[C@@H]([C@H]1CCC2(C[C@@H](CC3)O)O)C23/C=N/NC(c(cc2)cc(OC)c2O)=O)(C(CC2)C(CO3)=CC3=O)C12O

InChI

InChI=1S/C31H40N2O8/c1-28-9-6-22-23(31(28,39)12-8-21(28)19-14-26(36)41-16-19)7-11-30(38)15-20(34)5-10-29(22,30)17-32-33-27(37)18-3-4-24(35)25(13-18)40-2/h3-4,13-14,17,20-23,34-35,38-39H,5-12,15-16H2,1-2H3,(H,33,37)/t20-,21?,22+,23+,28?,29?,30?,31?/m0/s1

InChI Key

LYPHLZMFSLKUPV-DCYWUBIBSA-N

MDL Number (MFCD)

MFCD01539004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.67

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.624

Distribution Coefficient, logD

1.570

Water Solubility, LogSw

-3.05

Polar Surface Area

127.762

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

64.50

K087-0188 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
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
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K087-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K087-0188?
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What is the minimum amount of K087-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K087-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K087-0188
  • 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 K087-0188 available by request