S399-1993 Screening compound: 5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide

S399-1993 Screening compound: 5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
S399-1993 Screening compound: 5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-1993
5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-oxazole-3-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

S399-1993

Molecular Formula

C21H22N6O3 (C21 H22 N6 O3)

Compound Name

5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide

IUPAC name

5-(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)-N-[2-(5-phenyl-124-oxadiazol-3-yl)ethyl]-12-oxazole-3-carboxamide

SMILES

CCn1nc(C)c(-c2cc(C(NCCc3noc(-c4ccccc4)n3)=O)no2)c1C

InChI

InChI=1S/C21H22N6O3/c1-4-27-14(3)19(13(2)24-27)17-12-16(25-29-17)20(28)22-11-10-18-23-21(30-26-18)15-8-6-5-7-9-15/h5-9,12H,4,10-11H2,1-3H3,(H,22,28)

InChI Key

INSFMWDLFQSEHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29014303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.287

Distribution Coefficient, logD

2.287

Water Solubility, LogSw

-2.92

Polar Surface Area

92.974

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

S399-1993 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GABA Library (7115 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S399-1993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-1993?
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What is the minimum amount of S399-1993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-1993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-1993
  • 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 S399-1993 available by request