K850-0249 Screening compound: N-(2-bromo-4-methylphenyl)-3-{[(2-methoxyphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K850-0249 Screening compound: N-(2-bromo-4-methylphenyl)-3-{[(2-methoxyphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K850-0249 Screening compound: N-(2-bromo-4-methylphenyl)-3-{[(2-methoxyphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K850-0249
N-(2-bromo-4-methylphenyl)-3-{[(2-methoxyphenyl)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

K850-0249

Molecular Formula

C24H21BrN4O4S (C24 H21 BrN4 O4 S)

Compound Name

N-(2-bromo-4-methylphenyl)-3-{[(2-methoxyphenyl)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)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(Nc(cccc3)c3OC)=O)c1C2=O

InChI

InChI=1S/C24H21BrN4O4S/c1-13-8-9-16(15(25)10-13)28-22(31)21-14(2)20-23(34-21)26-12-29(24(20)32)11-19(30)27-17-6-4-5-7-18(17)33-3/h4-10,12H,11H2,1-3H3,(H,27,30)(H,28,31)

InChI Key

NNZHKXCBPNISFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15110813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.935

Distribution Coefficient, logD

3.925

Water Solubility, LogSw

-4.19

Polar Surface Area

78.717

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K850-0249 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with K850-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K850-0249?
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What is the minimum amount of K850-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K850-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K850-0249
  • 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 K850-0249 available by request