C712-0160 Screening compound: 9-METHYL-N-(2-THIENYLMETHYL)-4H-THIENO[3,2-C]CHROMENE-2-CARBOXAMIDE

C712-0160 Screening compound: 9-METHYL-N-(2-THIENYLMETHYL)-4H-THIENO[3,2-C]CHROMENE-2-CARBOXAMIDE
C712-0160 Screening compound: 9-METHYL-N-(2-THIENYLMETHYL)-4H-THIENO[3,2-C]CHROMENE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-0160
9-METHYL-N-(2-THIENYLMETHYL)-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

C712-0160

Molecular Formula

C18H15NO2S2 (C18 H15 NO2 S2)

Compound Name

9-METHYL-N-(2-THIENYLMETHYL)-4H-THIENO[3,2-C]CHROMENE-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

Cc1cccc(OC2)c1-c1c2cc(C(NCc2cccs2)=O)s1

InChI

InChI=1S/C18H15NO2S2/c1-11-4-2-6-14-16(11)17-12(10-21-14)8-15(23-17)18(20)19-9-13-5-3-7-22-13/h2-8H,9-10H2,1H3,(H,19,20)

InChI Key

KCYQZBLZFNAFHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.247

Distribution Coefficient, logD

4.247

Water Solubility, LogSw

-4.51

Polar Surface Area

34.787

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C712-0160 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C712-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-0160?
Check Price and Availability of C712-0160, 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 C712-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-0160
  • 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 C712-0160 available by request