C328-0234 Screening compound: N-[(5-{[(benzylcarbamoyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-chloro-6-fluorobenzamide

C328-0234 Screening compound: N-[(5-{[(benzylcarbamoyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-chloro-6-fluorobenzamide
C328-0234 Screening compound: N-[(5-{[(benzylcarbamoyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-chloro-6-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0234
N-[(5-{[(benzylcarbamoyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-chloro-6-fluorobenzamide

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

C328-0234

Molecular Formula

C19H16ClFN4O3S (C19 H16 ClFN4 O3 S)

Compound Name

N-[(5-{[(benzylcarbamoyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-chloro-6-fluorobenzamide

IUPAC name

N-[(5-{[(benzylcarbamoyl)methyl]sulfanyl}-134-oxadiazol-2-yl)methyl]-2-chloro-6-fluorobenzamide

SMILES

O=C(CSc1nnc(CNC(c(c(F)ccc2)c2Cl)=O)o1)NCc1ccccc1

InChI

InChI=1S/C19H16ClFN4O3S/c20-13-7-4-8-14(21)17(13)18(27)23-10-16-24-25-19(28-16)29-11-15(26)22-9-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,22,26)(H,23,27)

InChI Key

IRNWZFVUHYUMOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.283

Distribution Coefficient, logD

2.283

Water Solubility, LogSw

-3.37

Polar Surface Area

78.886

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C328-0234 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C328-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0234?
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What is the minimum amount of C328-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0234
  • 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 C328-0234 available by request