D064-0019 Screening compound: 6-(1-benzofuran-2-yl)-3-(2-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D064-0019 Screening compound: 6-(1-benzofuran-2-yl)-3-(2-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D064-0019 Screening compound: 6-(1-benzofuran-2-yl)-3-(2-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D064-0019
6-(1-benzofuran-2-yl)-3-(2-bromophenyl)-[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

D064-0019

Molecular Formula

C17H9BrN4OS (C17 H9 BrN4 OS)

Compound Name

6-(1-benzofuran-2-yl)-3-(2-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

6-(1-benzofuran-2-yl)-3-(2-bromophenyl)-[124]triazolo[34-b][134]thiadiazole

SMILES

Brc(cccc1)c1-c1nnc2sc(-c3cc(cccc4)c4o3)nn12

InChI

InChI=1S/C17H9BrN4OS/c18-12-7-3-2-6-11(12)15-19-20-17-22(15)21-16(24-17)14-9-10-5-1-4-8-13(10)23-14/h1-9H

InChI Key

XSYAXGNOBMOHSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06590531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.25

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

4.592

Distribution Coefficient, logD

4.592

Water Solubility, LogSw

-4.90

Polar Surface Area

42.014

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D064-0019 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D064-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0019?
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What is the minimum amount of D064-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0019
  • 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 D064-0019 available by request