K892-0311 Screening compound: 3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-N-cycloheptyl-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K892-0311 Screening compound: 3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-N-cycloheptyl-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K892-0311 Screening compound: 3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-N-cycloheptyl-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K892-0311
3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-N-cycloheptyl-5-methyl-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

K892-0311

Molecular Formula

C24H27ClN4O3S (C24 H27 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(NC2CCCCCC2)=O)sc(N=CN2CC(Nc3cc(Cl)c(C)cc3)=O)c1C2=O

InChI

InChI=1S/C24H27ClN4O3S/c1-14-9-10-17(11-18(14)25)27-19(30)12-29-13-26-23-20(24(29)32)15(2)21(33-23)22(31)28-16-7-5-3-4-6-8-16/h9-11,13,16H,3-8,12H2,1-2H3,(H,27,30)(H,28,31)

InChI Key

POHXOLFRSNIYQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.245

Distribution Coefficient, logD

5.245

Water Solubility, LogSw

-5.97

Polar Surface Area

73.860

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

K892-0311 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K892-0311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K892-0311?
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What is the minimum amount of K892-0311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K892-0311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K892-0311
  • 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 K892-0311 available by request