D064-0013 Screening compound: 3-(2-bromophenyl)-6-[(1E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D064-0013 Screening compound: 3-(2-bromophenyl)-6-[(1E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D064-0013 Screening compound: 3-(2-bromophenyl)-6-[(1E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D064-0013
3-(2-bromophenyl)-6-[(1E)-2-phenylethenyl]-[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

D064-0013

Molecular Formula

C17H11BrN4S (C17 H11 BrN4 S)

Compound Name

3-(2-bromophenyl)-6-[(1E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

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

SMILES

Brc(cccc1)c1-c1nnc2sc(/C=C/c3ccccc3)nn12

InChI

InChI=1S/C17H11BrN4S/c18-14-9-5-4-8-13(14)16-19-20-17-22(16)21-15(23-17)11-10-12-6-2-1-3-7-12/h1-11H

InChI Key

RJNBWOCZLQCUHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06590529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.089

Distribution Coefficient, logD

4.089

Water Solubility, LogSw

-4.63

Polar Surface Area

34.217

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D064-0013 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D064-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0013?
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What is the minimum amount of D064-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0013
  • 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 D064-0013 available by request