8013-2646 Screening compound: 2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-methyl-N-[4-(trifluoromethoxy)phenyl]acetamide

8013-2646 Screening compound: 2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-methyl-N-[4-(trifluoromethoxy)phenyl]acetamide
8013-2646 Screening compound: 2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-methyl-N-[4-(trifluoromethoxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2646
2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-methyl-N-[4-(trifluoromethoxy)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

8013-2646

Molecular Formula

C21H14F7N3O2S (C21 H14 F7 N3 O2 S)

Compound Name

2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-methyl-N-[4-(trifluoromethoxy)phenyl]acetamide

IUPAC name

2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-methyl-N-[4-(trifluoromethoxy)phenyl]acetamide

SMILES

CN(C(CSc1nc(-c(cc2)ccc2F)cc(C(F)(F)F)n1)=O)c(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C21H14F7N3O2S/c1-31(14-6-8-15(9-7-14)33-21(26,27)28)18(32)11-34-19-29-16(10-17(30-19)20(23,24)25)12-2-4-13(22)5-3-12/h2-10H,11H2,1H3

InChI Key

ZOCFDRNGXLYVNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.093

Distribution Coefficient, logD

6.093

Water Solubility, LogSw

-5.50

Polar Surface Area

38.038

Acid Dissociation Constant (pKa)

15.68

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 8013-2646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2646?
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What is the minimum amount of 8013-2646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2646
  • 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 8013-2646 available by request