C712-0195 Screening compound: N-(3-cyanophenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

C712-0195 Screening compound: N-(3-cyanophenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
C712-0195 Screening compound: N-(3-cyanophenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-0195
N-(3-cyanophenyl)-9-methyl-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

C712-0195

Molecular Formula

C20H14N2O2S (C20 H14 N2 O2 S)

Compound Name

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

IUPAC name

N-(3-cyanophenyl)-9-methyl-4H-thieno[32-c]chromene-2-carboxamide

SMILES

Cc1cccc(OC2)c1-c1c2cc(C(Nc2cc(C#N)ccc2)=O)s1

InChI

InChI=1S/C20H14N2O2S/c1-12-4-2-7-16-18(12)19-14(11-24-16)9-17(25-19)20(23)22-15-6-3-5-13(8-15)10-21/h2-9H,11H2,1H3,(H,22,23)

InChI Key

YYQWRZKLBZFJKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.545

Distribution Coefficient, logD

4.544

Water Solubility, LogSw

-4.58

Polar Surface Area

49.503

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C712-0195 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C712-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-0195?
Check Price and Availability of C712-0195, 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 C712-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-0195
  • 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 C712-0195 available by request