3448-7811 Screening compound: 4-(cyclohex-3-en-1-yl)-2-(prop-2-en-1-ylsulfanyl)-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile

3448-7811 Screening compound: 4-(cyclohex-3-en-1-yl)-2-(prop-2-en-1-ylsulfanyl)-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile
3448-7811 Screening compound: 4-(cyclohex-3-en-1-yl)-2-(prop-2-en-1-ylsulfanyl)-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-7811
4-(cyclohex-3-en-1-yl)-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

3448-7811

Molecular Formula

C18H20N2S (C18 H20 N2 S)

Compound Name

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

IUPAC name

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

SMILES

C=CCSc1nc(CCC2)c2c(C2CC=CCC2)c1C#N

InChI

InChI=1S/C18H20N2S/c1-2-11-21-18-15(12-19)17(13-7-4-3-5-8-13)14-9-6-10-16(14)20-18/h2-4,13H,1,5-11H2/t13-/m1/s1

InChI Key

NQYSNYAVVUPZLS-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD02047837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.414

Distribution Coefficient, logD

5.414

Water Solubility, LogSw

-5.68

Polar Surface Area

27.750

Acid Dissociation Constant (pKa)

18.44

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

3448-7811 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3448-7811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-7811?
Check Price and Availability of 3448-7811, 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 3448-7811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-7811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-7811
  • 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 3448-7811 available by request