K087-0078 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-hydroxybenzohydrazide

Chemical Structure Depiction of ChemDiv screening compound K087-0078
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-hydroxybenzohydrazide

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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K087-0078

Molecular Formula

C₃₀H₃₈N₂O₇ (C30 H38 N2 O7)

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-hydroxybenzohydrazide

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-hydroxybenzohydrazide

SMILES

CC(CC[C@@H]([C@H]1CCC2(C[C@@H](CC3)O)O)C23/C=N/NC(c(cc2)ccc2O)=O)(C(CC2)C(CO3)=CC3=O)C12O

InChI

InChI=1S/C30H38N2O7/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)17-31-32-26(36)18-2-4-20(33)5-3-18/h2-5,14,17,21-24,33-34,37-38H,6-13,15-16H2,1H3,(H,32,36)/t21-,22?,23+,24+,27?,28?,29?,30?/m0/s1

InChI Key

NJKACLJQQJZZGC-NPGVKPSLSA-N

MDL Number (MFCD)

MFCD01538973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

1.796

Distribution Coefficient, logD

1.770

Water Solubility, LogSw

-3.24

Polar Surface Area

121.201

Acid Dissociation Constant (pK_a)

8.60

Base Dissociation Constant (pK_b)

2.49

Number of Chiral Centers

8.00

Percent sp³ carbon bonding

63.30

K087-0078 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 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)

Included in 1.7M Stock Database

Therapeutical areas:

Antiviral
Infections
Immune system
Antiviral
Infections
Immune system
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 K087-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K087-0078?
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What is the minimum amount of K087-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K087-0078
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for K087-0078

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 K087-0078 available by request