D727-0708 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-(thiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D727-0708 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-(thiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D727-0708 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-(thiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0708
3-[2-(3,4-dimethoxyphenyl)ethyl]-6-(thiophen-2-yl)-[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

D727-0708

Molecular Formula

C17H16N4O2S2 (C17 H16 N4 O2 S2)

Compound Name

3-[2-(3,4-dimethoxyphenyl)ethyl]-6-(thiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

3-[2-(34-dimethoxyphenyl)ethyl]-6-(thiophen-2-yl)-[124]triazolo[34-b][134]thiadiazole

SMILES

COc(ccc(CCc1nnc2sc(-c3cccs3)nn12)c1)c1OC

InChI

InChI=1S/C17H16N4O2S2/c1-22-12-7-5-11(10-13(12)23-2)6-8-15-18-19-17-21(15)20-16(25-17)14-4-3-9-24-14/h3-5,7,9-10H,6,8H2,1-2H3

InChI Key

XIQXSTJVROIIPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09851723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.223

Distribution Coefficient, logD

3.223

Water Solubility, LogSw

-3.29

Polar Surface Area

50.977

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D727-0708 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D727-0708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0708?
Check Price and Availability of D727-0708, 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 D727-0708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0708
  • 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 D727-0708 available by request