G535-0294 Screening compound: N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-{3-ethyl-2-methyl-7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-6-yl}acetamide

G535-0294 Screening compound: N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-{3-ethyl-2-methyl-7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-6-yl}acetamide
G535-0294 Screening compound: N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-{3-ethyl-2-methyl-7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-6-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G535-0294
N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-{3-ethyl-2-methyl-7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-6-yl}acetamide

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

G535-0294

Molecular Formula

C28H31N3OS2 (C28 H31 N3 OS2)

Compound Name

N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-{3-ethyl-2-methyl-7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-6-yl}acetamide

IUPAC name

N-{3-cyano-4H5H6H7H8H-cyclohepta[b]thiophen-2-yl}-2-{3-ethyl-2-methyl-7-phenyl-4H5H6H7H-thieno[23-c]pyridin-6-yl}acetamide

SMILES

CCc1c(C)sc2c1CCN(CC(Nc(sc1c3CCCCC1)c3C#N)=O)C2c1ccccc1

InChI

InChI=1S/C28H31N3OS2/c1-3-20-18(2)33-27-22(20)14-15-31(26(27)19-10-6-4-7-11-19)17-25(32)30-28-23(16-29)21-12-8-5-9-13-24(21)34-28/h4,6-7,10-11,26H,3,5,8-9,12-15,17H2,1-2H3,(H,30,32)/t26-/m1/s1

InChI Key

LTYALVICTXZNFE-AREMUKBSSA-N

MDL Number (MFCD)

MFCD15017037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.71

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.215

Distribution Coefficient, logD

3.738

Water Solubility, LogSw

-5.62

Polar Surface Area

44.381

Acid Dissociation Constant (pKa)

3.08

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

G535-0294 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G535-0294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G535-0294?
Check Price and Availability of G535-0294, 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 G535-0294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G535-0294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G535-0294
  • 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 G535-0294 available by request