C328-0242 Screening compound: 2-chloro-6-fluoro-N-{[5-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide

C328-0242 Screening compound: 2-chloro-6-fluoro-N-{[5-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide
C328-0242 Screening compound: 2-chloro-6-fluoro-N-{[5-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0242
2-chloro-6-fluoro-N-{[5-({[(2,4,6-trimethylphenyl)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

C328-0242

Molecular Formula

C21H20ClFN4O3S (C21 H20 ClFN4 O3 S)

Compound Name

2-chloro-6-fluoro-N-{[5-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide

IUPAC name

2-chloro-6-fluoro-N-{[5-({[(246-trimethylphenyl)carbamoyl]methyl}sulfanyl)-134-oxadiazol-2-yl]methyl}benzamide

SMILES

Cc(cc1C)cc(C)c1NC(CSc1nnc(CNC(c(c(F)ccc2)c2Cl)=O)o1)=O

InChI

InChI=1S/C21H20ClFN4O3S/c1-11-7-12(2)19(13(3)8-11)25-16(28)10-31-21-27-26-17(30-21)9-24-20(29)18-14(22)5-4-6-15(18)23/h4-8H,9-10H2,1-3H3,(H,24,29)(H,25,28)

InChI Key

DTPLBIWXHJVFHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.115

Distribution Coefficient, logD

3.115

Water Solubility, LogSw

-3.68

Polar Surface Area

76.168

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C328-0242 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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
  • Pool

References: we are preparing a list of scientific research reports with C328-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0242?
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What is the minimum amount of C328-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0242
  • 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 C328-0242 available by request