D731-0692 Screening compound: 6-methyl-N~3~-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

D731-0692 Screening compound: 6-methyl-N~3~-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
D731-0692 Screening compound: 6-methyl-N~3~-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0692
6-methyl-N~3~-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-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

D731-0692

Molecular Formula

C15H17N3O2S2 (C15 H17 N3 O2 S2)

Compound Name

6-methyl-N~3~-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

n/a

SMILES

CC(CC1)Cc2c1c(C(Nc1nc(CC(C)=O)ns1)=O)cs2

InChI

InChI=1S/C15H17N3O2S2/c1-8-3-4-10-11(7-21-12(10)5-8)14(20)17-15-16-13(18-22-15)6-9(2)19/h7-8H,3-6H2,1-2H3,(H,16,17,18,20)/t8-/m1/s1

InChI Key

KYFWYLHUOQETMA-MRVPVSSYSA-N

MDL Number (MFCD)

MFCD05885036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.343

Distribution Coefficient, logD

3.221

Water Solubility, LogSw

-3.62

Polar Surface Area

59.453

Acid Dissociation Constant (pKa)

7.89

Base Dissociation Constant (pKb)

-5.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

D731-0692 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D731-0692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0692?
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What is the minimum amount of D731-0692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0692
  • 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 D731-0692 available by request