C918-0336 Screening compound: 7-chloro-N-methyl-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide

C918-0336 Screening compound: 7-chloro-N-methyl-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide
C918-0336 Screening compound: 7-chloro-N-methyl-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C918-0336
7-chloro-N-methyl-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]thiochromene-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

C918-0336

Molecular Formula

C20H13ClF3NOS2 (C20 H13 ClF3 NOS2)

Compound Name

7-chloro-N-methyl-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide

IUPAC name

7-chloro-N-methyl-N-[3-(trifluoromethyl)phenyl]-4H-thieno[32-c]thiochromene-2-carboxamide

SMILES

CN(C(c1cc(CSc2c-3ccc(Cl)c2)c3s1)=O)c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C20H13ClF3NOS2/c1-25(14-4-2-3-12(8-14)20(22,23)24)19(26)17-7-11-10-27-16-9-13(21)5-6-15(16)18(11)28-17/h2-9H,10H2,1H3

InChI Key

QDTFYAMNGZUYLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.91

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.287

Distribution Coefficient, logD

6.287

Water Solubility, LogSw

-6.24

Polar Surface Area

16.275

Acid Dissociation Constant (pKa)

24.79

Base Dissociation Constant (pKb)

-3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C918-0336 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C918-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C918-0336?
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What is the minimum amount of C918-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C918-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C918-0336
  • 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 C918-0336 available by request