D727-0450 Screening compound: 3-[(4-bromophenoxy)methyl]-6-(thiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D727-0450 Screening compound: 3-[(4-bromophenoxy)methyl]-6-(thiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D727-0450 Screening compound: 3-[(4-bromophenoxy)methyl]-6-(thiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0450
3-[(4-bromophenoxy)methyl]-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

D727-0450

Molecular Formula

C14H9BrN4OS2 (C14 H9 BrN4 OS2)

Compound Name

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

IUPAC name

3-[(4-bromophenoxy)methyl]-6-(thiophen-2-yl)-[124]triazolo[34-b][134]thiadiazole

SMILES

Brc(cc1)ccc1OCc1nnc2sc(-c3cccs3)nn12

InChI

InChI=1S/C14H9BrN4OS2/c15-9-3-5-10(6-4-9)20-8-12-16-17-14-19(12)18-13(22-14)11-2-1-7-21-11/h1-7H,8H2

InChI Key

AXDAZKCEFLOYTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09184477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.29

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

3.812

Distribution Coefficient, logD

3.812

Water Solubility, LogSw

-4.07

Polar Surface Area

43.215

Acid Dissociation Constant (pKa)

27.22

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

D727-0450 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D727-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0450?
Check Price and Availability of D727-0450, 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 D727-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0450
  • 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 D727-0450 available by request