C712-0241 Screening compound: N-(2-cyanoethyl)-9-methyl-N-phenyl-4H-thieno[3,2-c]chromene-2-carboxamide

C712-0241 Screening compound: N-(2-cyanoethyl)-9-methyl-N-phenyl-4H-thieno[3,2-c]chromene-2-carboxamide
C712-0241 Screening compound: N-(2-cyanoethyl)-9-methyl-N-phenyl-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-0241
N-(2-cyanoethyl)-9-methyl-N-phenyl-4H-thieno[3,2-c]chromene-2-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

C712-0241

Molecular Formula

C22H18N2O2S (C22 H18 N2 O2 S)

Compound Name

N-(2-cyanoethyl)-9-methyl-N-phenyl-4H-thieno[3,2-c]chromene-2-carboxamide

IUPAC name

N-(2-cyanoethyl)-9-methyl-N-phenyl-4H-thieno[32-c]chromene-2-carboxamide

SMILES

Cc1cccc(OC2)c1-c1c2cc(C(N(CCC#N)c2ccccc2)=O)s1

InChI

InChI=1S/C22H18N2O2S/c1-15-7-5-10-18-20(15)21-16(14-26-18)13-19(27-21)22(25)24(12-6-11-23)17-8-3-2-4-9-17/h2-5,7-10,13H,6,12,14H2,1H3

InChI Key

APOOGFILMZXMKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.246

Distribution Coefficient, logD

4.246

Water Solubility, LogSw

-4.44

Polar Surface Area

42.448

Acid Dissociation Constant (pKa)

21.44

Base Dissociation Constant (pKb)

-5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C712-0241 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C712-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-0241?
Check Price and Availability of C712-0241, 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 C712-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-0241
  • 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 C712-0241 available by request