S399-1261 Screening compound: 5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-N~3~-{2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}-3-isoxazolecarboxamide

S399-1261 Screening compound: 5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-N~3~-{2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}-3-isoxazolecarboxamide
S399-1261 Screening compound: 5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-N~3~-{2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-1261
5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-N~3~-{2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}-3-isoxazolecarboxamide

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

S399-1261

Molecular Formula

C17H22N6O4 (C17 H22 N6 O4)

Compound Name

5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-N~3~-{2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}-3-isoxazolecarboxamide

IUPAC name

n/a

SMILES

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

InChI

InChI=1S/C17H22N6O4/c1-5-23-11(3)16(10(2)20-23)13-8-12(21-26-13)17(24)18-7-6-14-19-15(9-25-4)27-22-14/h8H,5-7,9H2,1-4H3,(H,18,24)

InChI Key

LFVWELHIYNQFEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29014271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.531

Distribution Coefficient, logD

0.531

Water Solubility, LogSw

-1.66

Polar Surface Area

101.336

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

S399-1261 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S399-1261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-1261?
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What is the minimum amount of S399-1261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-1261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-1261
  • 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 S399-1261 available by request