8294-0256 Screening compound: ethyl 2-[(3-cyano-6-phenylpyridin-2-yl)sulfanyl]propanoate

8294-0256 Screening compound: ethyl 2-[(3-cyano-6-phenylpyridin-2-yl)sulfanyl]propanoate
8294-0256 Screening compound: ethyl 2-[(3-cyano-6-phenylpyridin-2-yl)sulfanyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8294-0256
ethyl 2-[(3-cyano-6-phenylpyridin-2-yl)sulfanyl]propanoate

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

8294-0256

Molecular Formula

C17H16N2O2S (C17 H16 N2 O2 S)

Compound Name

ethyl 2-[(3-cyano-6-phenylpyridin-2-yl)sulfanyl]propanoate

IUPAC name

ethyl 2-[(3-cyano-6-phenylpyridin-2-yl)sulfanyl]propanoate

SMILES

CCOC(C(C)Sc1nc(-c2ccccc2)ccc1C#N)=O

InChI

InChI=1S/C17H16N2O2S/c1-3-21-17(20)12(2)22-16-14(11-18)9-10-15(19-16)13-7-5-4-6-8-13/h4-10,12H,3H2,1-2H3/t12-/m0/s1

InChI Key

LBOVBOOXCIMCNH-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03730252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.39

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

4.409

Distribution Coefficient, logD

4.409

Water Solubility, LogSw

-4.37

Polar Surface Area

46.524

Acid Dissociation Constant (pKa)

18.79

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

8294-0256 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8294-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8294-0256?
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What is the minimum amount of 8294-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8294-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8294-0256
  • 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 8294-0256 available by request