D064-0069 Screening compound: 3-(3-chlorophenyl)-6-[(1E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D064-0069 Screening compound: 3-(3-chlorophenyl)-6-[(1E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D064-0069 Screening compound: 3-(3-chlorophenyl)-6-[(1E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D064-0069
3-(3-chlorophenyl)-6-[(1E)-2-(4-methoxyphenyl)ethenyl]-[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

D064-0069

Molecular Formula

C18H13ClN4OS (C18 H13 ClN4 OS)

Compound Name

3-(3-chlorophenyl)-6-[(1E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

3-(3-chlorophenyl)-6-[(1E)-2-(4-methoxyphenyl)ethenyl]-[124]triazolo[34-b][134]thiadiazole

SMILES

COc1ccc(/C=C/c(s2)nn3c2nnc3-c2cccc(Cl)c2)cc1

InChI

InChI=1S/C18H13ClN4OS/c1-24-15-8-5-12(6-9-15)7-10-16-22-23-17(20-21-18(23)25-16)13-3-2-4-14(19)11-13/h2-11H,1H3

InChI Key

QLURUGAWCJRHFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05882977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.85

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

4.643

Distribution Coefficient, logD

4.643

Water Solubility, LogSw

-5.10

Polar Surface Area

41.761

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

D064-0069 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D064-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0069?
Check Price and Availability of D064-0069, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D064-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0069
  • 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 D064-0069 available by request