K892-0337 Screening compound: ethyl 2-(3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-amido)benzoate

K892-0337 Screening compound: ethyl 2-(3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-amido)benzoate
K892-0337 Screening compound: ethyl 2-(3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K892-0337
ethyl 2-(3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-amido)benzoate

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

K892-0337

Molecular Formula

C26H23ClN4O5S (C26 H23 ClN4 O5 S)

Compound Name

ethyl 2-(3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-amido)benzoate

IUPAC name

ethyl 2-(3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-amido)benzoate

SMILES

CCOC(c(cccc1)c1NC(c1c(C)c(C(N(CC(Nc2cc(Cl)c(C)cc2)=O)C=N2)=O)c2s1)=O)=O

InChI

InChI=1S/C26H23ClN4O5S/c1-4-36-26(35)17-7-5-6-8-19(17)30-23(33)22-15(3)21-24(37-22)28-13-31(25(21)34)12-20(32)29-16-10-9-14(2)18(27)11-16/h5-11,13H,4,12H2,1-3H3,(H,29,32)(H,30,33)

InChI Key

STHDHDCPMLDPHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.01

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.059

Distribution Coefficient, logD

3.829

Water Solubility, LogSw

-5.29

Polar Surface Area

92.538

Acid Dissociation Constant (pKa)

6.20

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

K892-0337 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K892-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K892-0337?
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What is the minimum amount of K892-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K892-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K892-0337
  • 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 K892-0337 available by request