6466-0709 Screening compound: N-[(4-chlorophenyl)methyl]-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide

6466-0709 Screening compound: N-[(4-chlorophenyl)methyl]-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
6466-0709 Screening compound: N-[(4-chlorophenyl)methyl]-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0709
N-[(4-chlorophenyl)methyl]-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}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

6466-0709

Molecular Formula

C18H13ClF3N3OS2 (C18 H13 ClF3 N3 OS2)

Compound Name

N-[(4-chlorophenyl)methyl]-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-[(4-chlorophenyl)methyl]-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide

SMILES

O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)NCc(cc1)ccc1Cl

InChI

InChI=1S/C18H13ClF3N3OS2/c19-12-5-3-11(4-6-12)9-23-16(26)10-28-17-24-13(14-2-1-7-27-14)8-15(25-17)18(20,21)22/h1-8H,9-10H2,(H,23,26)

InChI Key

GXZHDEZGACBFDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02737168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.229

Distribution Coefficient, logD

5.229

Water Solubility, LogSw

-5.81

Polar Surface Area

42.478

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 6466-0709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0709?
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What is the minimum amount of 6466-0709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0709
  • 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 6466-0709 available by request