3814-0392 Screening compound: 2-(prop-2-en-1-ylsulfanyl)-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile

3814-0392 Screening compound: 2-(prop-2-en-1-ylsulfanyl)-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile
3814-0392 Screening compound: 2-(prop-2-en-1-ylsulfanyl)-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3814-0392
2-(prop-2-en-1-ylsulfanyl)-5H,6H,7H-cyclopenta[b]pyridine-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

3814-0392

Molecular Formula

C12H12N2S (C12 H12 N2 S)

Compound Name

2-(prop-2-en-1-ylsulfanyl)-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile

IUPAC name

2-(prop-2-en-1-ylsulfanyl)-5H6H7H-cyclopenta[b]pyridine-3-carbonitrile

SMILES

C=CCSc1nc(CCC2)c2cc1C#N

InChI

InChI=1S/C12H12N2S/c1-2-6-15-12-10(8-13)7-9-4-3-5-11(9)14-12/h2,7H,1,3-6H2

InChI Key

HHSRNDOKVLIYLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00448846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

216.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.345

Distribution Coefficient, logD

3.345

Water Solubility, LogSw

-3.74

Polar Surface Area

27.829

Acid Dissociation Constant (pKa)

17.91

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3814-0392 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3814-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3814-0392?
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What is the minimum amount of 3814-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3814-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3814-0392
  • 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 3814-0392 available by request