K892-0242 Screening compound: 3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-N-(quinolin-3-yl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K892-0242 Screening compound: 3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-N-(quinolin-3-yl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K892-0242 Screening compound: 3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-N-(quinolin-3-yl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K892-0242
3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-N-(quinolin-3-yl)-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

K892-0242

Molecular Formula

C26H20ClN5O3S (C26 H20 ClN5 O3 S)

Compound Name

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

IUPAC name

3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-N-(quinolin-3-yl)-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(Nc2cc3ccccc3nc2)=O)sc(N=CN2CC(Nc3cc(Cl)c(C)cc3)=O)c1C2=O

InChI

InChI=1S/C26H20ClN5O3S/c1-14-7-8-17(10-19(14)27)30-21(33)12-32-13-29-25-22(26(32)35)15(2)23(36-25)24(34)31-18-9-16-5-3-4-6-20(16)28-11-18/h3-11,13H,12H2,1-2H3,(H,30,33)(H,31,34)

InChI Key

BKFKRGQFBWDAFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.887

Distribution Coefficient, logD

4.885

Water Solubility, LogSw

-5.15

Polar Surface Area

81.334

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

K892-0242 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K892-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K892-0242?
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What is the minimum amount of K892-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K892-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K892-0242
  • 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 K892-0242 available by request