K892-0331 Screening compound: N-butyl-3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-N,5-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K892-0331 Screening compound: N-butyl-3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-N,5-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K892-0331 Screening compound: N-butyl-3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-N,5-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K892-0331
N-butyl-3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-N,5-dimethyl-4-oxo-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

K892-0331

Molecular Formula

C22H25ClN4O3S (C22 H25 ClN4 O3 S)

Compound Name

N-butyl-3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-N,5-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

N-butyl-3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-N5-dimethyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

CCCCN(C)C(c1c(C)c(C(N(CC(Nc2cc(Cl)c(C)cc2)=O)C=N2)=O)c2s1)=O

InChI

InChI=1S/C22H25ClN4O3S/c1-5-6-9-26(4)22(30)19-14(3)18-20(31-19)24-12-27(21(18)29)11-17(28)25-15-8-7-13(2)16(23)10-15/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,25,28)

InChI Key

DQBSKILLEBIIEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.049

Distribution Coefficient, logD

4.049

Water Solubility, LogSw

-4.59

Polar Surface Area

65.791

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with K892-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K892-0331?
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What is the minimum amount of K892-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K892-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K892-0331
  • 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 K892-0331 available by request