D319-0373 Screening compound: 4-methyl-N-(2-{[3-(trifluoromethyl)phenyl]carbamoyl}-1-benzofuran-3-yl)-1,2,3-thiadiazole-5-carboxamide

D319-0373 Screening compound: 4-methyl-N-(2-{[3-(trifluoromethyl)phenyl]carbamoyl}-1-benzofuran-3-yl)-1,2,3-thiadiazole-5-carboxamide
D319-0373 Screening compound: 4-methyl-N-(2-{[3-(trifluoromethyl)phenyl]carbamoyl}-1-benzofuran-3-yl)-1,2,3-thiadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D319-0373
4-methyl-N-(2-{[3-(trifluoromethyl)phenyl]carbamoyl}-1-benzofuran-3-yl)-1,2,3-thiadiazole-5-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

D319-0373

Molecular Formula

C20H13F3N4O3S (C20 H13 F3 N4 O3 S)

Compound Name

4-methyl-N-(2-{[3-(trifluoromethyl)phenyl]carbamoyl}-1-benzofuran-3-yl)-1,2,3-thiadiazole-5-carboxamide

IUPAC name

4-methyl-N-(2-{[3-(trifluoromethyl)phenyl]carbamoyl}-1-benzofuran-3-yl)-123-thiadiazole-5-carboxamide

SMILES

Cc1c(C(Nc2c(C(Nc3cc(C(F)(F)F)ccc3)=O)oc3c2cccc3)=O)snn1

InChI

InChI=1S/C20H13F3N4O3S/c1-10-17(31-27-26-10)19(29)25-15-13-7-2-3-8-14(13)30-16(15)18(28)24-12-6-4-5-11(9-12)20(21,22)23/h2-9H,1H3,(H,24,28)(H,25,29)

InChI Key

IONUPUCQGXFDES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08549988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.155

Distribution Coefficient, logD

4.001

Water Solubility, LogSw

-4.41

Polar Surface Area

75.994

Acid Dissociation Constant (pKa)

7.77

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D319-0373 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Others
  • GPCR
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D319-0373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D319-0373?
Check Price and Availability of D319-0373, 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 D319-0373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D319-0373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D319-0373
  • 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 D319-0373 available by request