K895-0352 Screening compound: N-(2-bromo-4-methylphenyl)-3-({[(2-methoxyphenyl)methyl]carbamoyl}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K895-0352 Screening compound: N-(2-bromo-4-methylphenyl)-3-({[(2-methoxyphenyl)methyl]carbamoyl}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K895-0352 Screening compound: N-(2-bromo-4-methylphenyl)-3-({[(2-methoxyphenyl)methyl]carbamoyl}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K895-0352
N-(2-bromo-4-methylphenyl)-3-({[(2-methoxyphenyl)methyl]carbamoyl}methyl)-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

K895-0352

Molecular Formula

C25H23BrN4O4S (C25 H23 BrN4 O4 S)

Compound Name

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

IUPAC name

N-(2-bromo-4-methylphenyl)-3-({[(2-methoxyphenyl)methyl]carbamoyl}methyl)-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(Nc(ccc(C)c2)c2Br)=O)sc(N=CN2CC(NCc(cccc3)c3OC)=O)c1C2=O

InChI

InChI=1S/C25H23BrN4O4S/c1-14-8-9-18(17(26)10-14)29-23(32)22-15(2)21-24(35-22)28-13-30(25(21)33)12-20(31)27-11-16-6-4-5-7-19(16)34-3/h4-10,13H,11-12H2,1-3H3,(H,27,31)(H,29,32)

InChI Key

QNBFAJAUWNWAGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.981

Distribution Coefficient, logD

3.971

Water Solubility, LogSw

-4.21

Polar Surface Area

80.737

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K895-0352 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K895-0352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K895-0352?
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What is the minimum amount of K895-0352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K895-0352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K895-0352
  • 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 K895-0352 available by request