3366-0226 Screening compound: N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-(2,5-dimethylphenyl)quinoline-4-carboxamide

3366-0226 Screening compound: N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-(2,5-dimethylphenyl)quinoline-4-carboxamide
3366-0226 Screening compound: N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-(2,5-dimethylphenyl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3366-0226
N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-(2,5-dimethylphenyl)quinoline-4-carboxamide

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

3366-0226

Molecular Formula

C28H25N3OS (C28 H25 N3 OS)

Compound Name

N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-(2,5-dimethylphenyl)quinoline-4-carboxamide

IUPAC name

N-{3-cyano-4H5H6H7H8H-cyclohepta[b]thiophen-2-yl}-2-(25-dimethylphenyl)quinoline-4-carboxamide

SMILES

Cc1cc(-c2nc3ccccc3c(C(Nc(sc3c4CCCCC3)c4C#N)=O)c2)c(C)cc1

InChI

InChI=1S/C28H25N3OS/c1-17-12-13-18(2)21(14-17)25-15-22(19-8-6-7-10-24(19)30-25)27(32)31-28-23(16-29)20-9-4-3-5-11-26(20)33-28/h6-8,10,12-15H,3-5,9,11H2,1-2H3,(H,31,32)

InChI Key

ZBJCIDSAVNNMQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01993851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.290

Distribution Coefficient, logD

6.334

Water Solubility, LogSw

-5.78

Polar Surface Area

48.491

Acid Dissociation Constant (pKa)

6.50

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3366-0226 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3366-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3366-0226?
Check Price and Availability of 3366-0226, 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 3366-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3366-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3366-0226
  • 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 3366-0226 available by request