D064-0398 Screening compound: 1-({6-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-1,2,3-benzotriazole

D064-0398 Screening compound: 1-({6-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-1,2,3-benzotriazole
D064-0398 Screening compound: 1-({6-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D064-0398
1-({6-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-1,2,3-benzotriazole

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

D064-0398

Molecular Formula

C17H12ClN7S (C17 H12 ClN7 S)

Compound Name

1-({6-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-1,2,3-benzotriazole

IUPAC name

1-({6-[(4-chlorophenyl)methyl]-[124]triazolo[34-b][134]thiadiazol-3-yl}methyl)-1H-123-benzotriazole

SMILES

Clc1ccc(Cc(s2)nn3c2nnc3Cn2nnc3c2cccc3)cc1

InChI

InChI=1S/C17H12ClN7S/c18-12-7-5-11(6-8-12)9-16-22-25-15(20-21-17(25)26-16)10-24-14-4-2-1-3-13(14)19-23-24/h1-8H,9-10H2

InChI Key

AICXERJZAYCHGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06611383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.673

Distribution Coefficient, logD

2.672

Water Solubility, LogSw

-3.28

Polar Surface Area

60.891

Acid Dissociation Constant (pKa)

22.95

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D064-0398 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D064-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0398?
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What is the minimum amount of D064-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0398
  • 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 D064-0398 available by request