D360-5954 Screening compound: 2-(ethylsulfanyl)-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile

D360-5954 Screening compound: 2-(ethylsulfanyl)-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile
D360-5954 Screening compound: 2-(ethylsulfanyl)-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D360-5954
2-(ethylsulfanyl)-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

D360-5954

Molecular Formula

C11H12N2S (C11 H12 N2 S)

Compound Name

2-(ethylsulfanyl)-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile

IUPAC name

2-(ethylsulfanyl)-5H6H7H-cyclopenta[b]pyridine-3-carbonitrile

SMILES

CCSc1nc(CCC2)c2cc1C#N

InChI

InChI=1S/C11H12N2S/c1-2-14-11-9(7-12)6-8-4-3-5-10(8)13-11/h6H,2-5H2,1H3

InChI Key

VTXRXTFTJSGMMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00487187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

204.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.100

Distribution Coefficient, logD

3.100

Water Solubility, LogSw

-3.30

Polar Surface Area

27.829

Acid Dissociation Constant (pKa)

17.91

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

D360-5954 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D360-5954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D360-5954?
Check Price and Availability of D360-5954, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D360-5954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D360-5954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D360-5954
  • 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 D360-5954 available by request