K892-0129 Screening compound: N-(4-fluorophenyl)-5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K892-0129 Screening compound: N-(4-fluorophenyl)-5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K892-0129 Screening compound: N-(4-fluorophenyl)-5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K892-0129
N-(4-fluorophenyl)-5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-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

K892-0129

Molecular Formula

C23H16F4N4O3S (C23 H16 F4 N4 O3 S)

Compound Name

N-(4-fluorophenyl)-5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

N-(4-fluorophenyl)-5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(Nc(cc2)ccc2F)=O)sc(N=CN2CC(Nc3cc(C(F)(F)F)ccc3)=O)c1C2=O

InChI

InChI=1S/C23H16F4N4O3S/c1-12-18-21(35-19(12)20(33)30-15-7-5-14(24)6-8-15)28-11-31(22(18)34)10-17(32)29-16-4-2-3-13(9-16)23(25,26)27/h2-9,11H,10H2,1H3,(H,29,32)(H,30,33)

InChI Key

IOLPMAIRAAUPJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.275

Distribution Coefficient, logD

4.224

Water Solubility, LogSw

-4.44

Polar Surface Area

72.482

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

K892-0129 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 K892-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K892-0129?
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What is the minimum amount of K892-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K892-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K892-0129
  • 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 K892-0129 available by request