K905-0013 Screening compound: N-(2-bromo-4-methylphenyl)-2-{6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

K905-0013 Screening compound: N-(2-bromo-4-methylphenyl)-2-{6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide
K905-0013 Screening compound: N-(2-bromo-4-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 K905-0013
N-(2-bromo-4-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

K905-0013

Molecular Formula

C16H14BrN3O2S (C16 H14 BrN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(C(N(CC(Nc(ccc(C)c2)c2Br)=O)C=N2)=O)c2s1

InChI

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

InChI Key

IYXCZIBTLMVPFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15112052

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

3.251

Distribution Coefficient, logD

3.251

Water Solubility, LogSw

-3.44

Polar Surface Area

48.693

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with K905-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K905-0013?
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What is the minimum amount of K905-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K905-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K905-0013
  • 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 K905-0013 available by request