K204-0045 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-phenylquinoline-4-carbohydrazide

Chemical Structure Depiction of ChemDiv screening compound K204-0045
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-phenylquinoline-4-carbohydrazide

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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K204-0045

Molecular Formula

C₃₉H₄₃N₃O₆ (C39 H43 N3 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]-2-phenylquinoline-4-carbohydrazide

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-phenylquinoline-4-carbohydrazide

SMILES

CC(CC[C@@H]([C@H]1CCC2(C[C@@H](CC3)O)O)C23/C=N/NC(c2cc(-c3ccccc3)nc3ccccc23)=O)(C(CC2)C(CO3)=CC3=O)C12O

InChI

InChI=1S/C39H43N3O6/c1-36-15-12-30-31(39(36,47)18-14-29(36)25-19-34(44)48-22-25)13-17-38(46)21-26(43)11-16-37(30,38)23-40-42-35(45)28-20-33(24-7-3-2-4-8-24)41-32-10-6-5-9-27(28)32/h2-10,19-20,23,26,29-31,43,46-47H,11-18,21-22H2,1H3,(H,42,45)/t26-,29?,30+,31+,36?,37?,38?,39?/m0/s1

InChI Key

ZIOPTNAQQBNLAA-ZYXPKJDXSA-N

MDL Number (MFCD)

MFCD02656715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

649.79

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

4.699

Distribution Coefficient, logD

4.697

Water Solubility, LogSw

-4.75

Polar Surface Area

111.643

Acid Dissociation Constant (pK_a)

11.89

Base Dissociation Constant (pK_b)

5.10

Number of Chiral Centers

8.00

Percent sp³ carbon bonding

48.70

K204-0045 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 K204-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K204-0045?
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What is the minimum amount of K204-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K204-0045
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for K204-0045

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 K204-0045 available by request