D731-0626 Screening compound: 6-(6-bromo-2-methyl-4-quinolyl)-3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D731-0626 Screening compound: 6-(6-bromo-2-methyl-4-quinolyl)-3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D731-0626 Screening compound: 6-(6-bromo-2-methyl-4-quinolyl)-3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0626
6-(6-bromo-2-methyl-4-quinolyl)-3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

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

D731-0626

Molecular Formula

C15H12BrN5S (C15 H12 BrN5 S)

Compound Name

6-(6-bromo-2-methyl-4-quinolyl)-3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

n/a

SMILES

CCc1nnc2sc(-c3c(cc(cc4)Br)c4nc(C)c3)nn12

InChI

InChI=1S/C15H12BrN5S/c1-3-13-18-19-15-21(13)20-14(22-15)11-6-8(2)17-12-5-4-9(16)7-10(11)12/h4-7H,3H2,1-2H3

InChI Key

NIPSOTQTRAHIDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06438258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.644

Distribution Coefficient, logD

3.642

Water Solubility, LogSw

-3.91

Polar Surface Area

43.106

Acid Dissociation Constant (pKa)

24.64

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D731-0626 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D731-0626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0626?
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What is the minimum amount of D731-0626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0626
  • 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 D731-0626 available by request