K204-0044 Screening compound: N-(2-{N'-[(Z)-[3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]hydrazinecarbonyl}phenyl)-2-chlorobenzamide

Chemical Structure Depiction of ChemDiv screening compound K204-0044
N-(2-{N'-[(Z)-[3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]hydrazinecarbonyl}phenyl)-2-chlorobenzamide

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

K204-0044

Molecular Formula

C₃₇H₄₂ClN₃O₇ (C37 H42 ClN3 O7)

Compound Name

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

IUPAC name

N-(2-{N'-[(Z)-[(3bR7R9bS)-3a5a7-trihydroxy-11a-methyl-1-(5-oxo-25-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]hydrazinecarbonyl}phenyl)-2-chlorobenzamide

SMILES

CC(CC[C@@H]([C@H]1CCC2(C[C@@H](CC3)O)O)C23/C=N\NC(c(cccc2)c2NC(c(cccc2)c2Cl)=O)=O)(C(CC2)C(CO3)=CC3=O)C12O

InChI

InChI=1S/C37H42ClN3O7/c1-34-14-11-27-28(37(34,47)17-13-26(34)22-18-31(43)48-20-22)12-16-36(46)19-23(42)10-15-35(27,36)21-39-41-33(45)25-7-3-5-9-30(25)40-32(44)24-6-2-4-8-29(24)38/h2-9,18,21,23,26-28,42,46-47H,10-17,19-20H2,1H3,(H,40,44)(H,41,45)/t23-,26?,27-,28-,34?,35?,36?,37?/m0/s1

InChI Key

DMXPKHGQUDHEGW-JQOHNRSPSA-N

MDL Number (MFCD)

MFCD02656714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

676.21

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

3.484

Distribution Coefficient, logD

3.433

Water Solubility, LogSw

-4.01

Polar Surface Area

125.977

Acid Dissociation Constant (pK_a)

8.30

Base Dissociation Constant (pK_b)

2.63

Number of Chiral Centers

8.00

Percent sp³ carbon bonding

51.40

K204-0044 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)

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 K204-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K204-0044?
Check Price and Availability of K204-0044, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.

What is the minimum amount of K204-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K204-0044
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for K204-0044

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 K204-0044 available by request