8004-3943 Screening compound: ethyl 2-{[4-(4-chlorophenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl}acetate

8004-3943 Screening compound: ethyl 2-{[4-(4-chlorophenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl}acetate
8004-3943 Screening compound: ethyl 2-{[4-(4-chlorophenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-3943
ethyl 2-{[4-(4-chlorophenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl}acetate

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

8004-3943

Molecular Formula

C22H17ClN2O2S (C22 H17 ClN2 O2 S)

Compound Name

ethyl 2-{[4-(4-chlorophenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl}acetate

IUPAC name

ethyl 2-{[4-(4-chlorophenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl}acetate

SMILES

CCOC(CSc1nc(-c2ccccc2)cc(-c(cc2)ccc2Cl)c1C#N)=O

InChI

InChI=1S/C22H17ClN2O2S/c1-2-27-21(26)14-28-22-19(13-24)18(15-8-10-17(23)11-9-15)12-20(25-22)16-6-4-3-5-7-16/h3-12H,2,14H2,1H3

InChI Key

XFWAHRHVYPGJPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00745642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.407

Distribution Coefficient, logD

6.407

Water Solubility, LogSw

-6.17

Polar Surface Area

45.657

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 8004-3943 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-3943?
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What is the minimum amount of 8004-3943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-3943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-3943
  • 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 8004-3943 available by request