C712-0133 Screening compound: N,9-dimethyl-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide

C712-0133 Screening compound: N,9-dimethyl-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
C712-0133 Screening compound: N,9-dimethyl-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-0133
N,9-dimethyl-N-[3-(trifluoromethyl)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

C712-0133

Molecular Formula

C21H16F3NO2S (C21 H16 F3 NO2 S)

Compound Name

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

IUPAC name

N9-dimethyl-N-[3-(trifluoromethyl)phenyl]-4H-thieno[32-c]chromene-2-carboxamide

SMILES

Cc1cccc(OC2)c1-c1c2cc(C(N(C)c2cc(C(F)(F)F)ccc2)=O)s1

InChI

InChI=1S/C21H16F3NO2S/c1-12-5-3-8-16-18(12)19-13(11-27-16)9-17(28-19)20(26)25(2)15-7-4-6-14(10-15)21(22,23)24/h3-10H,11H2,1-2H3

InChI Key

XOEBRYHWVSJQKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.388

Distribution Coefficient, logD

5.388

Water Solubility, LogSw

-5.63

Polar Surface Area

24.724

Acid Dissociation Constant (pKa)

25.02

Base Dissociation Constant (pKb)

-3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C712-0133 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C712-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-0133?
Check Price and Availability of C712-0133, 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 C712-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-0133
  • 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 C712-0133 available by request