C280-1108 Screening compound: 2-({3-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide

C280-1108 Screening compound: 2-({3-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide
C280-1108 Screening compound: 2-({3-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C280-1108
2-({3-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(trifluoromethyl)phenyl]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

C280-1108

Molecular Formula

C16H14F3N3O2S2 (C16 H14 F3 N3 O2 S2)

Compound Name

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

IUPAC name

2-({3-methyl-4-oxo-3H4H6H7H-thieno[32-d]pyrimidin-2-yl}sulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide

SMILES

CN(C1=O)C(SCC(Nc2ccc(C(F)(F)F)cc2)=O)=NC2=C1SCC2

InChI

InChI=1S/C16H14F3N3O2S2/c1-22-14(24)13-11(6-7-25-13)21-15(22)26-8-12(23)20-10-4-2-9(3-5-10)16(17,18)19/h2-5H,6-8H2,1H3,(H,20,23)

InChI Key

PFYXWRGGLHLPRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05939785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.43

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

2.534

Distribution Coefficient, logD

2.534

Water Solubility, LogSw

-2.92

Polar Surface Area

49.294

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with C280-1108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C280-1108?
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What is the minimum amount of C280-1108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C280-1108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C280-1108
  • 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 C280-1108 available by request