3909-8595 Screening compound: 5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid

3909-8595 Screening compound: 5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid
3909-8595 Screening compound: 5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3909-8595
5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid

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

3909-8595

Molecular Formula

C17H12F3N3O4S (C17 H12 F3 N3 O4 S)

Compound Name

5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid

IUPAC name

5-methyl-4-oxo-3-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-3H4H-thieno[23-d]pyrimidine-6-carboxylic acid

SMILES

Cc1c(C(O)=O)sc(N=CN2CC(Nc3cc(C(F)(F)F)ccc3)=O)c1C2=O

InChI

InChI=1S/C17H12F3N3O4S/c1-8-12-14(28-13(8)16(26)27)21-7-23(15(12)25)6-11(24)22-10-4-2-3-9(5-10)17(18,19)20/h2-5,7H,6H2,1H3,(H,22,24)(H,26,27)

InChI Key

VYDFMTWWPQLKGM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.490

Distribution Coefficient, logD

-1.462

Water Solubility, LogSw

-2.82

Polar Surface Area

77.799

Acid Dissociation Constant (pKa)

3.45

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 3909-8595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3909-8595?
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What is the minimum amount of 3909-8595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3909-8595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3909-8595
  • 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 3909-8595 available by request