P616-0102 Screening compound: 5-[(2-bromophenyl)methyl]-3-{[1,2,4]triazolo[4,3-a]pyridin-6-yl}-1,2,4-oxadiazole

P616-0102 Screening compound: 5-[(2-bromophenyl)methyl]-3-{[1,2,4]triazolo[4,3-a]pyridin-6-yl}-1,2,4-oxadiazole
P616-0102 Screening compound: 5-[(2-bromophenyl)methyl]-3-{[1,2,4]triazolo[4,3-a]pyridin-6-yl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P616-0102
5-[(2-bromophenyl)methyl]-3-{[1,2,4]triazolo[4,3-a]pyridin-6-yl}-1,2,4-oxadiazole

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

P616-0102

Molecular Formula

C15H10BrN5O (C15 H10 BrN5 O)

Compound Name

5-[(2-bromophenyl)methyl]-3-{[1,2,4]triazolo[4,3-a]pyridin-6-yl}-1,2,4-oxadiazole

IUPAC name

5-[(2-bromophenyl)methyl]-3-{[124]triazolo[43-a]pyridin-6-yl}-124-oxadiazole

SMILES

Brc1c(Cc2nc(-c(cc3)cn4c3nnc4)no2)cccc1

InChI

InChI=1S/C15H10BrN5O/c16-12-4-2-1-3-10(12)7-14-18-15(20-22-14)11-5-6-13-19-17-9-21(13)8-11/h1-6,8-9H,7H2

InChI Key

QYFICKYQTRBELH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.18

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.350

Distribution Coefficient, logD

3.350

Water Solubility, LogSw

-3.27

Polar Surface Area

54.255

Acid Dissociation Constant (pKa)

28.96

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

P616-0102 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 P616-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P616-0102?
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What is the minimum amount of P616-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P616-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P616-0102
  • 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 P616-0102 available by request