C712-1161 Screening compound: N-ethyl-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide

C712-1161 Screening compound: N-ethyl-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
C712-1161 Screening compound: N-ethyl-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-1161
N-ethyl-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

C712-1161

Molecular Formula

C21H16F3NO2S (C21 H16 F3 NO2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(c1cc(COc2c-3cccc2)c3s1)=O)c1cc(C(F)(F)F)ccc1

InChI

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

InChI Key

KUIIHONDZLTSEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787245

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

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.623

Distribution Coefficient, logD

5.623

Water Solubility, LogSw

-5.52

Polar Surface Area

24.703

Acid Dissociation Constant (pKa)

25.02

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C712-1161 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with C712-1161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-1161?
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What is the minimum amount of C712-1161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-1161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-1161
  • 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 C712-1161 available by request