1433-0181 Screening compound: 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile

1433-0181 Screening compound: 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
1433-0181 Screening compound: 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1433-0181
2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile

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

1433-0181

Molecular Formula

C16H13FN2OS (C16 H13 FN2 OS)

Compound Name

2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile

IUPAC name

2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-46-dimethylpyridine-3-carbonitrile

SMILES

Cc(cc(C)nc1SCC(c(cc2)ccc2F)=O)c1C#N

InChI

InChI=1S/C16H13FN2OS/c1-10-7-11(2)19-16(14(10)8-18)21-9-15(20)12-3-5-13(17)6-4-12/h3-7H,9H2,1-2H3

InChI Key

VLBWCTYCKDAPRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01056861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.315

Distribution Coefficient, logD

3.315

Water Solubility, LogSw

-3.56

Polar Surface Area

38.824

Acid Dissociation Constant (pKa)

18.20

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

1433-0181 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1433-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1433-0181?
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What is the minimum amount of 1433-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1433-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1433-0181
  • 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 1433-0181 available by request