D731-0159 Screening compound: 3-(2-fluorophenyl)-6-[(1E)-2-(thiophen-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D731-0159 Screening compound: 3-(2-fluorophenyl)-6-[(1E)-2-(thiophen-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D731-0159 Screening compound: 3-(2-fluorophenyl)-6-[(1E)-2-(thiophen-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0159
3-(2-fluorophenyl)-6-[(1E)-2-(thiophen-2-yl)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

D731-0159

Molecular Formula

C15H9FN4S2 (C15 H9 FN4 S2)

Compound Name

3-(2-fluorophenyl)-6-[(1E)-2-(thiophen-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

3-(2-fluorophenyl)-6-[(1E)-2-(thiophen-2-yl)ethenyl]-[124]triazolo[34-b][134]thiadiazole

SMILES

Fc(cccc1)c1-c1nnc2sc(/C=C/c3cccs3)nn12

InChI

InChI=1S/C15H9FN4S2/c16-12-6-2-1-5-11(12)14-17-18-15-20(14)19-13(22-15)8-7-10-4-3-9-21-10/h1-9H

InChI Key

DITJWMMARQWHLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07359680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.236

Distribution Coefficient, logD

3.236

Water Solubility, LogSw

-3.66

Polar Surface Area

35.235

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D731-0159 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

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 D731-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0159?
Check Price and Availability of D731-0159, 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 D731-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0159
  • 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 D731-0159 available by request