P596-0218 Screening compound: 1-ethyl-6-{5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole

P596-0218 Screening compound: 1-ethyl-6-{5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole
P596-0218 Screening compound: 1-ethyl-6-{5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P596-0218
1-ethyl-6-{5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole

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

P596-0218

Molecular Formula

C18H17N5O (C18 H17 N5 O)

Compound Name

1-ethyl-6-{5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole

IUPAC name

1-ethyl-6-{5-[(4-methylphenyl)methyl]-124-oxadiazol-3-yl}-1H-123-benzotriazole

SMILES

CCn1nnc(cc2)c1cc2-c1noc(Cc2ccc(C)cc2)n1

InChI

InChI=1S/C18H17N5O/c1-3-23-16-11-14(8-9-15(16)20-22-23)18-19-17(24-21-18)10-13-6-4-12(2)5-7-13/h4-9,11H,3,10H2,1-2H3

InChI Key

MKXORFIQYZTNHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.37

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

4.107

Distribution Coefficient, logD

4.107

Water Solubility, LogSw

-4.21

Polar Surface Area

56.732

Acid Dissociation Constant (pKa)

25.42

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

P596-0218 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P596-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P596-0218?
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What is the minimum amount of P596-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P596-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P596-0218
  • 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 P596-0218 available by request