D064-0406 Screening compound: 1-({6-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-1,2,3-benzotriazole

D064-0406 Screening compound: 1-({6-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-1,2,3-benzotriazole
D064-0406 Screening compound: 1-({6-[(4-chlorophenoxy)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 D064-0406
1-({6-[(4-chlorophenoxy)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

D064-0406

Molecular Formula

C17H12ClN7OS (C17 H12 ClN7 OS)

Compound Name

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

SMILES

Clc(cc1)ccc1OCc(s1)nn2c1nnc2Cn1nnc2c1cccc2

InChI

InChI=1S/C17H12ClN7OS/c18-11-5-7-12(8-6-11)26-10-16-22-25-15(20-21-17(25)27-16)9-24-14-4-2-1-3-13(14)19-23-24/h1-8H,9-10H2

InChI Key

SKTDMNAHUWJVBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06590328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.484

Distribution Coefficient, logD

2.483

Water Solubility, LogSw

-2.97

Polar Surface Area

68.390

Acid Dissociation Constant (pKa)

22.95

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D064-0406 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 D064-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0406?
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What is the minimum amount of D064-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0406
  • 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 D064-0406 available by request