D731-0734 Screening compound: 5-cyclopropyl-1-(4-methylphenyl)-N~4~-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1H-1,2,3-triazole-4-carboxamide

D731-0734 Screening compound: 5-cyclopropyl-1-(4-methylphenyl)-N~4~-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1H-1,2,3-triazole-4-carboxamide
D731-0734 Screening compound: 5-cyclopropyl-1-(4-methylphenyl)-N~4~-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0734
5-cyclopropyl-1-(4-methylphenyl)-N~4~-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1H-1,2,3-triazole-4-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

D731-0734

Molecular Formula

C18H18N6O2S (C18 H18 N6 O2 S)

Compound Name

5-cyclopropyl-1-(4-methylphenyl)-N~4~-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

n/a

SMILES

CC(Cc1nsc(NC(c2c(C3CC3)n(-c3ccc(C)cc3)nn2)=O)n1)=O

InChI

InChI=1S/C18H18N6O2S/c1-10-3-7-13(8-4-10)24-16(12-5-6-12)15(21-23-24)17(26)20-18-19-14(22-27-18)9-11(2)25/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,19,20,22,26)

InChI Key

KPBBOEOHDVKFPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11842959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.309

Distribution Coefficient, logD

2.944

Water Solubility, LogSw

-3.53

Polar Surface Area

84.638

Acid Dissociation Constant (pKa)

7.28

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D731-0734 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D731-0734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0734?
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What is the minimum amount of D731-0734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0734
  • 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 D731-0734 available by request