0821-0414 Screening compound: methyl 2-{[3-cyano-4-(3-fluorophenyl)-6-phenylpyridin-2-yl]sulfanyl}acetate

0821-0414 Screening compound: methyl 2-{[3-cyano-4-(3-fluorophenyl)-6-phenylpyridin-2-yl]sulfanyl}acetate
0821-0414 Screening compound: methyl 2-{[3-cyano-4-(3-fluorophenyl)-6-phenylpyridin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0821-0414
methyl 2-{[3-cyano-4-(3-fluorophenyl)-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

0821-0414

Molecular Formula

C21H15FN2O2S (C21 H15 FN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COC(CSc1nc(-c2ccccc2)cc(-c2cc(F)ccc2)c1C#N)=O

InChI

InChI=1S/C21H15FN2O2S/c1-26-20(25)13-27-21-18(12-23)17(15-8-5-9-16(22)10-15)11-19(24-21)14-6-3-2-4-7-14/h2-11H,13H2,1H3

InChI Key

HOYSORCPFGYUPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00559080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.282

Distribution Coefficient, logD

5.282

Water Solubility, LogSw

-5.34

Polar Surface Area

46.078

Acid Dissociation Constant (pKa)

20.57

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 0821-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0821-0414?
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What is the minimum amount of 0821-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0821-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0821-0414
  • 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 0821-0414 available by request