P596-0334 Screening compound: N-({3-[1-(propan-2-yl)-1H-1,2,3-benzotriazol-6-yl]-1,2,4-oxadiazol-5-yl}methyl)benzamide

P596-0334 Screening compound: N-({3-[1-(propan-2-yl)-1H-1,2,3-benzotriazol-6-yl]-1,2,4-oxadiazol-5-yl}methyl)benzamide
P596-0334 Screening compound: N-({3-[1-(propan-2-yl)-1H-1,2,3-benzotriazol-6-yl]-1,2,4-oxadiazol-5-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P596-0334
N-({3-[1-(propan-2-yl)-1H-1,2,3-benzotriazol-6-yl]-1,2,4-oxadiazol-5-yl}methyl)benzamide

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

P596-0334

Molecular Formula

C19H18N6O2 (C19 H18 N6 O2)

Compound Name

N-({3-[1-(propan-2-yl)-1H-1,2,3-benzotriazol-6-yl]-1,2,4-oxadiazol-5-yl}methyl)benzamide

IUPAC name

N-({3-[1-(propan-2-yl)-1H-123-benzotriazol-6-yl]-124-oxadiazol-5-yl}methyl)benzamide

SMILES

CC(C)n1nnc(cc2)c1cc2-c1noc(CNC(c2ccccc2)=O)n1

InChI

InChI=1S/C19H18N6O2/c1-12(2)25-16-10-14(8-9-15(16)22-24-25)18-21-17(27-23-18)11-20-19(26)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,20,26)

InChI Key

UVEKQIGUKAXKHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.336

Distribution Coefficient, logD

3.336

Water Solubility, LogSw

-3.69

Polar Surface Area

82.161

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

P596-0334 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P596-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P596-0334?
Check Price and Availability of P596-0334, 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 P596-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P596-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P596-0334
  • 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 P596-0334 available by request