3112-5271 Screening compound: N-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}-3-phenylpropanamide

3112-5271 Screening compound: N-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}-3-phenylpropanamide
3112-5271 Screening compound: N-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3112-5271
N-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}-3-phenylpropanamide

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

3112-5271

Molecular Formula

C20H22N2OS (C20 H22 N2 OS)

Compound Name

N-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}-3-phenylpropanamide

IUPAC name

N-{3-cyano-4H5H6H7H8H9H-cycloocta[b]thiophen-2-yl}-3-phenylpropanamide

SMILES

N#Cc1c(NC(CCc2ccccc2)=O)sc2c1CCCCCC2

InChI

InChI=1S/C20H22N2OS/c21-14-17-16-10-6-1-2-7-11-18(16)24-20(17)22-19(23)13-12-15-8-4-3-5-9-15/h3-5,8-9H,1-2,6-7,10-13H2,(H,22,23)

InChI Key

QOLGQENCBUTYGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01919530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.018

Distribution Coefficient, logD

3.309

Water Solubility, LogSw

-4.89

Polar Surface Area

40.218

Acid Dissociation Constant (pKa)

5.70

Base Dissociation Constant (pKb)

-5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

3112-5271 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3112-5271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3112-5271?
Check Price and Availability of 3112-5271, 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 3112-5271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3112-5271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3112-5271
  • 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 3112-5271 available by request