D731-0373 Screening compound: 3,5-dimethyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-benzofuran-2-carboxamide

D731-0373 Screening compound: 3,5-dimethyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-benzofuran-2-carboxamide
D731-0373 Screening compound: 3,5-dimethyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0373
3,5-dimethyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-benzofuran-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

D731-0373

Molecular Formula

C16H15N3O3S (C16 H15 N3 O3 S)

Compound Name

3,5-dimethyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-benzofuran-2-carboxamide

IUPAC name

35-dimethyl-N-[3-(2-oxopropyl)-124-thiadiazol-5-yl]-1-benzofuran-2-carboxamide

SMILES

CC(Cc1nsc(NC(c2c(C)c(cc(C)cc3)c3o2)=O)n1)=O

InChI

InChI=1S/C16H15N3O3S/c1-8-4-5-12-11(6-8)10(3)14(22-12)15(21)18-16-17-13(19-23-16)7-9(2)20/h4-6H,7H2,1-3H3,(H,17,18,19,21)

InChI Key

ZZCXGEGYZBBTSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07395919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.477

Distribution Coefficient, logD

2.902

Water Solubility, LogSw

-3.74

Polar Surface Area

67.040

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D731-0373 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D731-0373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0373?
Check Price and Availability of D731-0373, 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 D731-0373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0373
  • 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 D731-0373 available by request