D064-0247 Screening compound: 4-{6-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}pyridine

D064-0247 Screening compound: 4-{6-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}pyridine
D064-0247 Screening compound: 4-{6-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound D064-0247
4-{6-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}pyridine

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

D064-0247

Molecular Formula

C15H10ClN5OS (C15 H10 ClN5 OS)

Compound Name

4-{6-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}pyridine

IUPAC name

4-{6-[(2-chlorophenoxy)methyl]-[124]triazolo[34-b][134]thiadiazol-3-yl}pyridine

SMILES

Clc(cccc1)c1OCc(s1)nn2c1nnc2-c1ccncc1

InChI

InChI=1S/C15H10ClN5OS/c16-11-3-1-2-4-12(11)22-9-13-20-21-14(18-19-15(21)23-13)10-5-7-17-8-6-10/h1-8H,9H2

InChI Key

DXNMUBNAFDVBEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05882961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.590

Distribution Coefficient, logD

2.590

Water Solubility, LogSw

-3.27

Polar Surface Area

51.231

Acid Dissociation Constant (pKa)

31.28

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

D064-0247 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D064-0247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0247?
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What is the minimum amount of D064-0247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0247
  • 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 D064-0247 available by request