D064-0409 Screening compound: 1-({6-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-1,2,3-benzotriazole

D064-0409 Screening compound: 1-({6-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-1,2,3-benzotriazole
D064-0409 Screening compound: 1-({6-[(2-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 D064-0409
1-({6-[(2-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

D064-0409

Molecular Formula

C17H12ClN7OS (C17 H12 ClN7 OS)

Compound Name

1-({6-[(2-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-[(2-chlorophenoxy)methyl]-[124]triazolo[34-b][134]thiadiazol-3-yl}methyl)-1H-123-benzotriazole

SMILES

Clc(cccc1)c1OCc(s1)nn2c1nnc2Cn1nnc2c1cccc2

InChI

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

InChI Key

OOIWPNRPTJDKOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06590331

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

2.284

Distribution Coefficient, logD

2.283

Water Solubility, LogSw

-2.89

Polar Surface Area

68.476

Acid Dissociation Constant (pKa)

22.95

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D064-0409 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D064-0409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0409?
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What is the minimum amount of D064-0409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0409
  • 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 D064-0409 available by request