P507-0721 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazole

P507-0721 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazole
P507-0721 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P507-0721
5-(2H-1,3-benzodioxol-5-yl)-3-(1-benzyl-1H-1,2,3-triazol-4-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

P507-0721

Molecular Formula

C18H13N5O3 (C18 H13 N5 O3)

Compound Name

5-(2H-1,3-benzodioxol-5-yl)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazole

IUPAC name

5-(2H-13-benzodioxol-5-yl)-3-(1-benzyl-1H-123-triazol-4-yl)-124-oxadiazole

SMILES

C(c1ccccc1)n1nnc(-c2noc(-c(cc3)cc4c3OCO4)n2)c1

InChI

InChI=1S/C18H13N5O3/c1-2-4-12(5-3-1)9-23-10-14(20-22-23)17-19-18(26-21-17)13-6-7-15-16(8-13)25-11-24-15/h1-8,10H,9,11H2

InChI Key

ZELYOUGMMZSFPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27577379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.279

Distribution Coefficient, logD

3.279

Water Solubility, LogSw

-3.16

Polar Surface Area

75.273

Acid Dissociation Constant (pKa)

23.70

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

P507-0721 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 P507-0721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P507-0721?
Check Price and Availability of P507-0721, 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 P507-0721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P507-0721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P507-0721
  • 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 P507-0721 available by request