D064-0116 Screening compound: 6-(4-bromophenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D064-0116 Screening compound: 6-(4-bromophenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D064-0116 Screening compound: 6-(4-bromophenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D064-0116
6-(4-bromophenyl)-3-(2-methoxyphenyl)-[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

D064-0116

Molecular Formula

C16H11BrN4OS (C16 H11 BrN4 OS)

Compound Name

6-(4-bromophenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

6-(4-bromophenyl)-3-(2-methoxyphenyl)-[124]triazolo[34-b][134]thiadiazole

SMILES

COc(cccc1)c1-c1nnc2sc(-c(cc3)ccc3Br)nn12

InChI

InChI=1S/C16H11BrN4OS/c1-22-13-5-3-2-4-12(13)14-18-19-16-21(14)20-15(23-16)10-6-8-11(17)9-7-10/h2-9H,1H3

InChI Key

KTIUABDYNUEZQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04021919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.143

Distribution Coefficient, logD

4.143

Water Solubility, LogSw

-4.52

Polar Surface Area

41.352

Acid Dissociation Constant (pKa)

31.98

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

D064-0116 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D064-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0116?
Check Price and Availability of D064-0116, 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 D064-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0116
  • 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 D064-0116 available by request