C280-1046 Screening compound: N-(2,4-difluorophenyl)-2-{[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

C280-1046 Screening compound: N-(2,4-difluorophenyl)-2-{[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
C280-1046 Screening compound: N-(2,4-difluorophenyl)-2-{[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C280-1046
N-(2,4-difluorophenyl)-2-{[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}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

C280-1046

Molecular Formula

C23H21F2N3O2S2 (C23 H21 F2 N3 O2 S2)

Compound Name

N-(2,4-difluorophenyl)-2-{[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-(24-difluorophenyl)-2-{[3-(35-dimethylphenyl)-6-methyl-4-oxo-3H4H6H7H-thieno[32-d]pyrimidin-2-yl]sulfanyl}acetamide

SMILES

CC(C1)SC(C(N2c3cc(C)cc(C)c3)=O)=C1N=C2SCC(Nc(ccc(F)c1)c1F)=O

InChI

InChI=1S/C23H21F2N3O2S2/c1-12-6-13(2)8-16(7-12)28-22(30)21-19(9-14(3)32-21)27-23(28)31-11-20(29)26-18-5-4-15(24)10-17(18)25/h4-8,10,14H,9,11H2,1-3H3,(H,26,29)/t14-/m0/s1

InChI Key

WCWSMNZEXNDVSC-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD04997321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.617

Distribution Coefficient, logD

4.613

Water Solubility, LogSw

-4.34

Polar Surface Area

47.948

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

C280-1046 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C280-1046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C280-1046?
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What is the minimum amount of C280-1046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C280-1046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C280-1046
  • 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 C280-1046 available by request