C328-0219 Screening compound: 2-chloro-N-{[5-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-6-fluorobenzamide

C328-0219 Screening compound: 2-chloro-N-{[5-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-6-fluorobenzamide
C328-0219 Screening compound: 2-chloro-N-{[5-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-6-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0219
2-chloro-N-{[5-({[(3,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-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

C328-0219

Molecular Formula

C20H18ClFN4O3S (C20 H18 ClFN4 O3 S)

Compound Name

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

IUPAC name

2-chloro-N-{[5-({[(35-dimethylphenyl)carbamoyl]methyl}sulfanyl)-134-oxadiazol-2-yl]methyl}-6-fluorobenzamide

SMILES

Cc1cc(NC(CSc2nnc(CNC(c(c(F)ccc3)c3Cl)=O)o2)=O)cc(C)c1

InChI

InChI=1S/C20H18ClFN4O3S/c1-11-6-12(2)8-13(7-11)24-16(27)10-30-20-26-25-17(29-20)9-23-19(28)18-14(21)4-3-5-15(18)22/h3-8H,9-10H2,1-2H3,(H,23,28)(H,24,27)

InChI Key

MPEXHFJQGDIULH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.91

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

3.295

Distribution Coefficient, logD

3.295

Water Solubility, LogSw

-3.96

Polar Surface Area

77.564

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C328-0219 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cancer
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C328-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0219?
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What is the minimum amount of C328-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0219
  • 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 C328-0219 available by request