P596-0082 Screening compound: 5-(4-ethoxyphenyl)-3-(1-methyl-1H-1,2,3-benzotriazol-6-yl)-1,2,4-oxadiazole

P596-0082 Screening compound: 5-(4-ethoxyphenyl)-3-(1-methyl-1H-1,2,3-benzotriazol-6-yl)-1,2,4-oxadiazole
P596-0082 Screening compound: 5-(4-ethoxyphenyl)-3-(1-methyl-1H-1,2,3-benzotriazol-6-yl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P596-0082
5-(4-ethoxyphenyl)-3-(1-methyl-1H-1,2,3-benzotriazol-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

P596-0082

Molecular Formula

C17H15N5O2 (C17 H15 N5 O2)

Compound Name

5-(4-ethoxyphenyl)-3-(1-methyl-1H-1,2,3-benzotriazol-6-yl)-1,2,4-oxadiazole

IUPAC name

6-[5-(4-ethoxyphenyl)-124-oxadiazol-3-yl]-1-methyl-1H-123-benzotriazole

SMILES

CCOc(cc1)ccc1-c1nc(-c(cc2)cc3c2nnn3C)no1

InChI

InChI=1S/C17H15N5O2/c1-3-23-13-7-4-11(5-8-13)17-18-16(20-24-17)12-6-9-14-15(10-12)22(2)21-19-14/h4-10H,3H2,1-2H3

InChI Key

UHAYUVXIMYXFHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.34

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

3.653

Distribution Coefficient, logD

3.653

Water Solubility, LogSw

-3.82

Polar Surface Area

64.751

Acid Dissociation Constant (pKa)

27.78

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

P596-0082 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antifungal Library (16415 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P596-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P596-0082?
Check Price and Availability of P596-0082, 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 P596-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P596-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P596-0082
  • 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 P596-0082 available by request