K892-0335 Screening compound: ethyl 1-(3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-3-carboxylate

K892-0335 Screening compound: ethyl 1-(3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-3-carboxylate
K892-0335 Screening compound: ethyl 1-(3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K892-0335
ethyl 1-(3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-3-carboxylate

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

K892-0335

Molecular Formula

C25H27ClN4O5S (C25 H27 ClN4 O5 S)

Compound Name

ethyl 1-(3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-3-carboxylate

IUPAC name

ethyl 1-(3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carbonyl)piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c1c(C)c(C(N(CC(Nc2cc(Cl)c(C)cc2)=O)C=N2)=O)c2s1)=O)=O

InChI

InChI=1S/C25H27ClN4O5S/c1-4-35-25(34)16-6-5-9-29(11-16)24(33)21-15(3)20-22(36-21)27-13-30(23(20)32)12-19(31)28-17-8-7-14(2)18(26)10-17/h7-8,10,13,16H,4-6,9,11-12H2,1-3H3,(H,28,31)/t16-/m0/s1

InChI Key

CPCOWZUDPROIDH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15111307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.03

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.926

Distribution Coefficient, logD

3.925

Water Solubility, LogSw

-4.54

Polar Surface Area

86.726

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

K892-0335 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K892-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K892-0335?
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What is the minimum amount of K892-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K892-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K892-0335
  • 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 K892-0335 available by request