C280-1043 Screening compound: 2-{[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide

C280-1043 Screening compound: 2-{[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
C280-1043 Screening compound: 2-{[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C280-1043
2-{[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4-fluorophenyl)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

C280-1043

Molecular Formula

C23H22FN3O2S2 (C23 H22 FN3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C1)SC(C(N2c3cc(C)cc(C)c3)=O)=C1N=C2SCC(Nc(cc1)ccc1F)=O

InChI

InChI=1S/C23H22FN3O2S2/c1-13-8-14(2)10-18(9-13)27-22(29)21-19(11-15(3)31-21)26-23(27)30-12-20(28)25-17-6-4-16(24)5-7-17/h4-10,15H,11-12H2,1-3H3,(H,25,28)/t15-/m0/s1

InChI Key

NNBLSWQFXBJJGF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD04997307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.58

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

4.730

Distribution Coefficient, logD

4.730

Water Solubility, LogSw

-4.51

Polar Surface Area

48.646

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

C280-1043 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 C280-1043 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C280-1043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C280-1043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C280-1043
  • 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 C280-1043 available by request