C328-0052 Screening compound: 4-methoxy-N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide

C328-0052 Screening compound: 4-methoxy-N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide
C328-0052 Screening compound: 4-methoxy-N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0052
4-methoxy-N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-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

C328-0052

Molecular Formula

C21H22N4O4S (C21 H22 N4 O4 S)

Compound Name

4-methoxy-N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide

IUPAC name

4-methoxy-N-{[5-({[(2-phenylethyl)carbamoyl]methyl}sulfanyl)-134-oxadiazol-2-yl]methyl}benzamide

SMILES

COc(cc1)ccc1C(NCc(o1)nnc1SCC(NCCc1ccccc1)=O)=O

InChI

InChI=1S/C21H22N4O4S/c1-28-17-9-7-16(8-10-17)20(27)23-13-19-24-25-21(29-19)30-14-18(26)22-12-11-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,22,26)(H,23,27)

InChI Key

GTQPDLUMGYZVAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.584

Distribution Coefficient, logD

1.584

Water Solubility, LogSw

-2.26

Polar Surface Area

86.271

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C328-0052 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C328-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0052?
Check Price and Availability of C328-0052, 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 C328-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0052
  • 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 C328-0052 available by request