P597-0031 Screening compound: N-{[3-(1-methyl-1H-1,3-benzodiazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide

P597-0031 Screening compound: N-{[3-(1-methyl-1H-1,3-benzodiazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide
P597-0031 Screening compound: N-{[3-(1-methyl-1H-1,3-benzodiazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P597-0031
N-{[3-(1-methyl-1H-1,3-benzodiazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide

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

P597-0031

Molecular Formula

C17H15N5O3S (C17 H15 N5 O3 S)

Compound Name

N-{[3-(1-methyl-1H-1,3-benzodiazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide

IUPAC name

N-{[3-(1-methyl-1H-13-benzodiazol-6-yl)-124-oxadiazol-5-yl]methyl}benzenesulfonamide

SMILES

Cn1c(cc(cc2)-c3noc(CNS(c4ccccc4)(=O)=O)n3)c2nc1

InChI

InChI=1S/C17H15N5O3S/c1-22-11-18-14-8-7-12(9-15(14)22)17-20-16(25-21-17)10-19-26(23,24)13-5-3-2-4-6-13/h2-9,11,19H,10H2,1H3

InChI Key

JITFQASNCFGMMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.644

Distribution Coefficient, logD

2.465

Water Solubility, LogSw

-3.19

Polar Surface Area

84.352

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

P597-0031 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P597-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P597-0031?
Check Price and Availability of P597-0031, 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 P597-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P597-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P597-0031
  • 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 P597-0031 available by request