P597-0431 Screening compound: 6-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-(propan-2-yl)-1H-1,3-benzodiazole

P597-0431 Screening compound: 6-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-(propan-2-yl)-1H-1,3-benzodiazole
P597-0431 Screening compound: 6-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-(propan-2-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P597-0431
6-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-(propan-2-yl)-1H-1,3-benzodiazole

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

P597-0431

Molecular Formula

C20H20N4O2 (C20 H20 N4 O2)

Compound Name

6-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-(propan-2-yl)-1H-1,3-benzodiazole

IUPAC name

6-[5-(4-methoxy-2-methylphenyl)-124-oxadiazol-3-yl]-1-(propan-2-yl)-1H-13-benzodiazole

SMILES

CC(C)n1c(cc(cc2)-c3noc(-c(cc4)c(C)cc4OC)n3)c2nc1

InChI

InChI=1S/C20H20N4O2/c1-12(2)24-11-21-17-8-5-14(10-18(17)24)19-22-20(26-23-19)16-7-6-15(25-4)9-13(16)3/h5-12H,1-4H3

InChI Key

LOMDXUWUWRWGJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.886

Distribution Coefficient, logD

4.884

Water Solubility, LogSw

-4.71

Polar Surface Area

50.436

Acid Dissociation Constant (pKa)

21.28

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

P597-0431 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P597-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P597-0431?
Check Price and Availability of P597-0431, 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 P597-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P597-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P597-0431
  • 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 P597-0431 available by request