K905-0037 Screening compound: N-(4-bromo-2-methylphenyl)-2-{6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

K905-0037 Screening compound: N-(4-bromo-2-methylphenyl)-2-{6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide
K905-0037 Screening compound: N-(4-bromo-2-methylphenyl)-2-{6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K905-0037
N-(4-bromo-2-methylphenyl)-2-{6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

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

K905-0037

Molecular Formula

C16H14BrN3O2S (C16 H14 BrN3 O2 S)

Compound Name

N-(4-bromo-2-methylphenyl)-2-{6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

IUPAC name

N-(4-bromo-2-methylphenyl)-2-{6-methyl-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl}acetamide

SMILES

Cc1cc(C(N(CC(Nc(cc2)c(C)cc2Br)=O)C=N2)=O)c2s1

InChI

InChI=1S/C16H14BrN3O2S/c1-9-5-11(17)3-4-13(9)19-14(21)7-20-8-18-15-12(16(20)22)6-10(2)23-15/h3-6,8H,7H2,1-2H3,(H,19,21)

InChI Key

BRTVIWCYODYXEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15112060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.288

Distribution Coefficient, logD

3.288

Water Solubility, LogSw

-3.47

Polar Surface Area

48.693

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

K905-0037 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K905-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K905-0037?
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What is the minimum amount of K905-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K905-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K905-0037
  • 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 K905-0037 available by request