P507-0235 Screening compound: 4-{3-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}benzonitrile

P507-0235 Screening compound: 4-{3-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}benzonitrile
P507-0235 Screening compound: 4-{3-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound P507-0235
4-{3-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}benzonitrile

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

P507-0235

Molecular Formula

C18H12N6O (C18 H12 N6 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-n1nnc(-c2noc(-c(cc3)ccc3C#N)n2)c1

InChI

InChI=1S/C18H12N6O/c1-12-2-8-15(9-3-12)24-11-16(21-23-24)17-20-18(25-22-17)14-6-4-13(10-19)5-7-14/h2-9,11H,1H3

InChI Key

DUMKMSOHWQTLDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27577312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.718

Distribution Coefficient, logD

3.718

Water Solubility, LogSw

-3.92

Polar Surface Area

75.066

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with P507-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P507-0235?
Check Price and Availability of P507-0235, 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 P507-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P507-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P507-0235
  • 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 P507-0235 available by request