2438-0080 Screening compound: N-(4-chlorophenyl)-2-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide

2438-0080 Screening compound: N-(4-chlorophenyl)-2-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide
2438-0080 Screening compound: N-(4-chlorophenyl)-2-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2438-0080
N-(4-chlorophenyl)-2-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-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

2438-0080

Molecular Formula

C21H13ClF3N3OS (C21 H13 ClF3 N3 OS)

Compound Name

N-(4-chlorophenyl)-2-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide

IUPAC name

N-(4-chlorophenyl)-2-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide

SMILES

N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCC(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C21H13ClF3N3OS/c22-14-6-8-15(9-7-14)27-19(29)12-30-20-16(11-26)17(21(23,24)25)10-18(28-20)13-4-2-1-3-5-13/h1-10H,12H2,(H,27,29)

InChI Key

NUCGYUZQUBVKPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01210923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.87

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

6.285

Distribution Coefficient, logD

6.285

Water Solubility, LogSw

-6.37

Polar Surface Area

48.648

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 2438-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2438-0080?
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What is the minimum amount of 2438-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2438-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2438-0080
  • 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 2438-0080 available by request