J108-0227 Screening compound: 7-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

J108-0227 Screening compound: 7-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
J108-0227 Screening compound: 7-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound J108-0227
7-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

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

J108-0227

Molecular Formula

C9H5BrN4S (C9 H5 BrN4 S)

Compound Name

7-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

7-(5-bromothiophen-2-yl)-[124]triazolo[15-a]pyrimidine

SMILES

Brc1ccc(-c2ccnc3ncnn23)s1

InChI

InChI=1S/C9H5BrN4S/c10-8-2-1-7(15-8)6-3-4-11-9-12-5-13-14(6)9/h1-5H

InChI Key

NEVHJNMPIMPSNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD23137830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.14

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.310

Distribution Coefficient, logD

2.310

Water Solubility, LogSw

-2.20

Polar Surface Area

32.172

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

J108-0227 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

Crystallographic and 19F NMR fragment-libraries (624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Eye
Structure:
  • Fragments
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J108-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J108-0227?
Check Price and Availability of J108-0227, 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 J108-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J108-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J108-0227
  • 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 J108-0227 available by request