K204-0051 Screening compound: 5-{N'-[(E)-[3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]hydrazinecarbonyl}-N-phenyl-1H-imidazole-4-carboxamide

K204-0051 Screening compound: 5-{N'-[(E)-[3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]hydrazinecarbonyl}-N-phenyl-1H-imidazole-4-carboxamide
K204-0051 Screening compound: 5-{N'-[(E)-[3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]hydrazinecarbonyl}-N-phenyl-1H-imidazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K204-0051
5-{N'-[(E)-[3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]hydrazinecarbonyl}-N-phenyl-1H-imidazole-4-carboxamide

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

K204-0051

Molecular Formula

C34H41N5O7 (C34 H41 N5 O7)

Compound Name

5-{N'-[(E)-[3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]hydrazinecarbonyl}-N-phenyl-1H-imidazole-4-carboxamide

IUPAC name

5-{N'-[(E)-[(3bR7R9bS)-3a5a7-trihydroxy-11a-methyl-1-(5-oxo-25-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]hydrazinecarbonyl}-N-phenyl-1H-imidazole-4-carboxamide

SMILES

CC(CC[C@@H]([C@H]1CCC2(C[C@@H](CC3)O)O)C23/C=N/NC(c2c(C(Nc3ccccc3)=O)nc[nH]2)=O)(C(CC2)C(CO3)=CC3=O)C12O

InChI

InChI=1S/C34H41N5O7/c1-31-11-8-24-25(34(31,45)14-10-23(31)20-15-26(41)46-17-20)9-13-33(44)16-22(40)7-12-32(24,33)18-37-39-30(43)28-27(35-19-36-28)29(42)38-21-5-3-2-4-6-21/h2-6,15,18-19,22-25,40,44-45H,7-14,16-17H2,1H3,(H,35,36)(H,38,42)(H,39,43)/t22-,23?,24+,25+,31?,32?,33?,34?/m0/s1

InChI Key

ZOZQNWWRCFJXPR-BSRLJSBNSA-N

MDL Number (MFCD)

MFCD02656717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

631.73

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.753

Distribution Coefficient, logD

1.751

Water Solubility, LogSw

-3.22

Polar Surface Area

149.044

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

55.90

K204-0051 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 K204-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K204-0051?
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What is the minimum amount of K204-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K204-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K204-0051
  • 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 K204-0051 available by request