P597-0454 Screening compound: N-(1-{3-[1-(propan-2-yl)-1H-1,3-benzodiazol-6-yl]-1,2,4-oxadiazol-5-yl}ethyl)benzamide

P597-0454 Screening compound: N-(1-{3-[1-(propan-2-yl)-1H-1,3-benzodiazol-6-yl]-1,2,4-oxadiazol-5-yl}ethyl)benzamide
P597-0454 Screening compound: N-(1-{3-[1-(propan-2-yl)-1H-1,3-benzodiazol-6-yl]-1,2,4-oxadiazol-5-yl}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P597-0454
N-(1-{3-[1-(propan-2-yl)-1H-1,3-benzodiazol-6-yl]-1,2,4-oxadiazol-5-yl}ethyl)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

P597-0454

Molecular Formula

C21H21N5O2 (C21 H21 N5 O2)

Compound Name

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

IUPAC name

N-(1-{3-[1-(propan-2-yl)-1H-13-benzodiazol-6-yl]-124-oxadiazol-5-yl}ethyl)benzamide

SMILES

CC(C)n1c(cc(cc2)-c3noc(C(C)NC(c4ccccc4)=O)n3)c2nc1

InChI

InChI=1S/C21H21N5O2/c1-13(2)26-12-22-17-10-9-16(11-18(17)26)19-24-21(28-25-19)14(3)23-20(27)15-7-5-4-6-8-15/h4-14H,1-3H3,(H,23,27)/t14-/m0/s1

InChI Key

HUZBZCMVYOCNGF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27606199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.979

Distribution Coefficient, logD

3.977

Water Solubility, LogSw

-4.17

Polar Surface Area

66.740

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

P597-0454 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with P597-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P597-0454?
Check Price and Availability of P597-0454, 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 P597-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P597-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P597-0454
  • 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 P597-0454 available by request