P507-1294 Screening compound: 3-{3-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}pyridine

P507-1294 Screening compound: 3-{3-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}pyridine
P507-1294 Screening compound: 3-{3-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound P507-1294
3-{3-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}pyridine

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

P507-1294

Molecular Formula

C17H14N6O (C17 H14 N6 O)

Compound Name

3-{3-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}pyridine

IUPAC name

3-{3-[5-methyl-1-(4-methylphenyl)-1H-123-triazol-4-yl]-124-oxadiazol-5-yl}pyridine

SMILES

Cc1c(-c2noc(-c3cnccc3)n2)nnn1-c1ccc(C)cc1

InChI

InChI=1S/C17H14N6O/c1-11-5-7-14(8-6-11)23-12(2)15(20-22-23)16-19-17(24-21-16)13-4-3-9-18-10-13/h3-10H,1-2H3

InChI Key

RPAMVTPNBOWCNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27577462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.608

Distribution Coefficient, logD

2.604

Water Solubility, LogSw

-2.31

Polar Surface Area

68.005

Acid Dissociation Constant (pKa)

22.65

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

P507-1294 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P507-1294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P507-1294?
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What is the minimum amount of P507-1294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P507-1294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P507-1294
  • 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 P507-1294 available by request