3329-4219 Screening compound: 3-(2-chlorophenyl)-5-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide

3329-4219 Screening compound: 3-(2-chlorophenyl)-5-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide
3329-4219 Screening compound: 3-(2-chlorophenyl)-5-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3329-4219
3-(2-chlorophenyl)-5-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide

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

3329-4219

Molecular Formula

C20H15ClN4O2S (C20 H15 ClN4 O2 S)

Compound Name

3-(2-chlorophenyl)-5-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide

IUPAC name

3-(2-chlorophenyl)-5-methyl-N-[5-(3-methylphenyl)-134-thiadiazol-2-yl]-12-oxazole-4-carboxamide

SMILES

Cc1c(C(Nc2nnc(-c3cc(C)ccc3)s2)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C20H15ClN4O2S/c1-11-6-5-7-13(10-11)19-23-24-20(28-19)22-18(26)16-12(2)27-25-17(16)14-8-3-4-9-15(14)21/h3-10H,1-2H3,(H,22,24,26)

InChI Key

YOXDSMMBQIVQPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04409215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.014

Distribution Coefficient, logD

5.007

Water Solubility, LogSw

-5.20

Polar Surface Area

68.563

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

3329-4219 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

GABA Library (7115 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Eye
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3329-4219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3329-4219?
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What is the minimum amount of 3329-4219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3329-4219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3329-4219
  • 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 3329-4219 available by request