8294-0067 Screening compound: ethyl 2-{[4-(4-chlorophenyl)-3-cyano-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate

8294-0067 Screening compound: ethyl 2-{[4-(4-chlorophenyl)-3-cyano-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate
8294-0067 Screening compound: ethyl 2-{[4-(4-chlorophenyl)-3-cyano-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8294-0067
ethyl 2-{[4-(4-chlorophenyl)-3-cyano-5H,6H,7H-cyclopenta[b]pyridin-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

8294-0067

Molecular Formula

C20H19ClN2O2S (C20 H19 ClN2 O2 S)

Compound Name

ethyl 2-{[4-(4-chlorophenyl)-3-cyano-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate

IUPAC name

ethyl 2-{[4-(4-chlorophenyl)-3-cyano-5H6H7H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate

SMILES

CCOC(C(C)Sc1nc(CCC2)c2c(-c(cc2)ccc2Cl)c1C#N)=O

InChI

InChI=1S/C20H19ClN2O2S/c1-3-25-20(24)12(2)26-19-16(11-22)18(13-7-9-14(21)10-8-13)15-5-4-6-17(15)23-19/h7-10,12H,3-6H2,1-2H3/t12-/m0/s1

InChI Key

DFRLTIHWBWIAGD-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00855264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.9

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

5.638

Distribution Coefficient, logD

5.638

Water Solubility, LogSw

-6.07

Polar Surface Area

48.311

Acid Dissociation Constant (pKa)

16.54

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

8294-0067 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8294-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8294-0067?
Check Price and Availability of 8294-0067, 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 8294-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8294-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8294-0067
  • 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 8294-0067 available by request