D064-0392 Screening compound: 1-{[6-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-1,2,3-benzotriazole

D064-0392 Screening compound: 1-{[6-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-1,2,3-benzotriazole
D064-0392 Screening compound: 1-{[6-(3-methoxyphenyl)-[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 D064-0392
1-{[6-(3-methoxyphenyl)-[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

D064-0392

Molecular Formula

C17H13N7OS (C17 H13 N7 OS)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(-c(s2)nn3c2nnc3Cn2nnc3c2cccc3)c1

InChI

InChI=1S/C17H13N7OS/c1-25-12-6-4-5-11(9-12)16-21-24-15(19-20-17(24)26-16)10-23-14-8-3-2-7-13(14)18-22-23/h2-9H,10H2,1H3

InChI Key

RTNKFVVXJBHIGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06590364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.198

Distribution Coefficient, logD

2.197

Water Solubility, LogSw

-2.37

Polar Surface Area

67.939

Acid Dissociation Constant (pKa)

22.95

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D064-0392 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D064-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0392?
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What is the minimum amount of D064-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0392
  • 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 D064-0392 available by request