K087-0199 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-chloro-4-nitrobenzohydrazide

K087-0199 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-chloro-4-nitrobenzohydrazide
K087-0199 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-chloro-4-nitrobenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K087-0199
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-chloro-4-nitrobenzohydrazide

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

K087-0199

Molecular Formula

C30H36ClN3O8 (C30 H36 ClN3 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]-2-chloro-4-nitrobenzohydrazide

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-chloro-4-nitrobenzohydrazide

SMILES

CC(CC[C@@H]([C@H]1CCC2(C[C@@H](CC3)O)O)C23/C=N/NC(c(ccc([N+]([O-])=O)c2)c2Cl)=O)(C(CC2)C(CO3)=CC3=O)C12O

InChI

InChI=1S/C30H36ClN3O8/c1-27-8-5-22-23(30(27,39)11-7-21(27)17-12-25(36)42-15-17)6-10-29(38)14-19(35)4-9-28(22,29)16-32-33-26(37)20-3-2-18(34(40)41)13-24(20)31/h2-3,12-13,16,19,21-23,35,38-39H,4-11,14-15H2,1H3,(H,33,37)/t19-,21?,22-,23-,27?,28?,29?,30?/m0/s1

InChI Key

UNUCCJSFGMVRKV-HBLBNTHMSA-N

MDL Number (MFCD)

MFCD01539007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

602.08

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.745

Distribution Coefficient, logD

2.736

Water Solubility, LogSw

-3.77

Polar Surface Area

136.965

Acid Dissociation Constant (pKa)

9.08

Base Dissociation Constant (pKb)

2.13

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

63.30

K087-0199 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 K087-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K087-0199?
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What is the minimum amount of K087-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K087-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K087-0199
  • 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 K087-0199 available by request