S399-0884 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide

S399-0884 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
S399-0884 Screening compound: 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-0884
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide

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

S399-0884

Molecular Formula

C17H18N4O3 (C17 H18 N4 O3)

Compound Name

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide

IUPAC name

2-(35-dimethyl-12-oxazol-4-yl)-N-[2-(5-phenyl-124-oxadiazol-3-yl)ethyl]acetamide

SMILES

Cc1noc(C)c1CC(NCCc1noc(-c2ccccc2)n1)=O

InChI

InChI=1S/C17H18N4O3/c1-11-14(12(2)23-20-11)10-16(22)18-9-8-15-19-17(24-21-15)13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,18,22)

InChI Key

QOHGVPXDFHFNJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29005044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.696

Distribution Coefficient, logD

1.696

Water Solubility, LogSw

-2.02

Polar Surface Area

78.986

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

S399-0884 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with S399-0884 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-0884?
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What is the minimum amount of S399-0884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-0884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-0884
  • 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 S399-0884 available by request