G945-0638 Screening compound: N-{[3-(1-cyclopentyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide

G945-0638 Screening compound: N-{[3-(1-cyclopentyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide
G945-0638 Screening compound: N-{[3-(1-cyclopentyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G945-0638
N-{[3-(1-cyclopentyl-1H-1,3-benzodiazol-5-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

G945-0638

Molecular Formula

C21H21N5O3S (C21 H21 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=S(c1ccccc1)(NCc1nc(-c(cc2)cc3c2n(C2CCCC2)cn3)no1)=O

InChI

InChI=1S/C21H21N5O3S/c27-30(28,17-8-2-1-3-9-17)23-13-20-24-21(25-29-20)15-10-11-19-18(12-15)22-14-26(19)16-6-4-5-7-16/h1-3,8-12,14,16,23H,4-7,13H2

InChI Key

LNSNPGDCNIGKRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.008

Distribution Coefficient, logD

3.936

Water Solubility, LogSw

-4.27

Polar Surface Area

84.183

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G945-0638 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G945-0638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G945-0638?
Check Price and Availability of G945-0638, 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 G945-0638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G945-0638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G945-0638
  • 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 G945-0638 available by request