6466-0385 Screening compound: 2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide

6466-0385 Screening compound: 2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
6466-0385 Screening compound: 2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0385
2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-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

6466-0385

Molecular Formula

C17H12F4N4O2S (C17 H12 F4 N4 O2 S)

Compound Name

2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide

IUPAC name

2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(5-methyl-12-oxazol-3-yl)acetamide

SMILES

Cc1cc(NC(CSc2nc(-c(cc3)ccc3F)cc(C(F)(F)F)n2)=O)no1

InChI

InChI=1S/C17H12F4N4O2S/c1-9-6-14(25-27-9)24-15(26)8-28-16-22-12(7-13(23-16)17(19,20)21)10-2-4-11(18)5-3-10/h2-7H,8H2,1H3,(H,24,25,26)

InChI Key

PKMMNVNLPLBQMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02735853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.713

Distribution Coefficient, logD

4.695

Water Solubility, LogSw

-4.43

Polar Surface Area

61.933

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 6466-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0385?
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What is the minimum amount of 6466-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0385
  • 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 6466-0385 available by request