P597-0379 Screening compound: 6-{5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-(propan-2-yl)-1H-1,3-benzodiazole

P597-0379 Screening compound: 6-{5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-(propan-2-yl)-1H-1,3-benzodiazole
P597-0379 Screening compound: 6-{5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-(propan-2-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P597-0379
6-{5-[(4-methoxyphenyl)methyl]-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

P597-0379

Molecular Formula

C20H20N4O2 (C20 H20 N4 O2)

Compound Name

6-{5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-(propan-2-yl)-1H-1,3-benzodiazole

IUPAC name

6-{5-[(4-methoxyphenyl)methyl]-124-oxadiazol-3-yl}-1-(propan-2-yl)-1H-13-benzodiazole

SMILES

CC(C)n1c(cc(cc2)-c3noc(Cc(cc4)ccc4OC)n3)c2nc1

InChI

InChI=1S/C20H20N4O2/c1-13(2)24-12-21-17-9-6-15(11-18(17)24)20-22-19(26-23-20)10-14-4-7-16(25-3)8-5-14/h4-9,11-13H,10H2,1-3H3

InChI Key

NDZNXFGTHYSHII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606176

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

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.519

Distribution Coefficient, logD

4.518

Water Solubility, LogSw

-4.45

Polar Surface Area

50.101

Acid Dissociation Constant (pKa)

21.28

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

P597-0379 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P597-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P597-0379?
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What is the minimum amount of P597-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P597-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P597-0379
  • 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 P597-0379 available by request