D064-0092 Screening compound: 6-[(4-chlorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D064-0092 Screening compound: 6-[(4-chlorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D064-0092 Screening compound: 6-[(4-chlorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D064-0092
6-[(4-chlorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

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

D064-0092

Molecular Formula

C16H10ClFN4OS (C16 H10 ClFN4 OS)

Compound Name

6-[(4-chlorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

6-[(4-chlorophenoxy)methyl]-3-(4-fluorophenyl)-[124]triazolo[34-b][134]thiadiazole

SMILES

Fc(cc1)ccc1-c1nnc2sc(COc(cc3)ccc3Cl)nn12

InChI

InChI=1S/C16H10ClFN4OS/c17-11-3-7-13(8-4-11)23-9-14-21-22-15(19-20-16(22)24-14)10-1-5-12(18)6-2-10/h1-8H,9H2

InChI Key

RFDIWYMOANADRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06590475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.8

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.068

Distribution Coefficient, logD

4.068

Water Solubility, LogSw

-4.61

Polar Surface Area

41.716

Acid Dissociation Constant (pKa)

30.89

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

D064-0092 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D064-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0092?
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What is the minimum amount of D064-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0092
  • 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 D064-0092 available by request