S353-0583 Screening compound: 1-[6-(4-methylphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide

S353-0583 Screening compound: 1-[6-(4-methylphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
S353-0583 Screening compound: 1-[6-(4-methylphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S353-0583
1-[6-(4-methylphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-carbonyl]-N-(2-phenylethyl)piperidine-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

S353-0583

Molecular Formula

C27H31N5O3 (C27 H31 N5 O3)

Compound Name

1-[6-(4-methylphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide

IUPAC name

1-[6-(4-methylphenyl)-4H6H7H-[123]triazolo[43-c][14]oxazine-3-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide

SMILES

Cc1ccc(C2OCc3c(C(N(CC4)CCC4C(NCCc4ccccc4)=O)=O)nnn3C2)cc1

InChI

InChI=1S/C27H31N5O3/c1-19-7-9-21(10-8-19)24-17-32-23(18-35-24)25(29-30-32)27(34)31-15-12-22(13-16-31)26(33)28-14-11-20-5-3-2-4-6-20/h2-10,22,24H,11-18H2,1H3,(H,28,33)/t24-/m1/s1

InChI Key

XGIRRAXICPSJIZ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD29032618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.128

Distribution Coefficient, logD

2.128

Water Solubility, LogSw

-2.57

Polar Surface Area

75.663

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

S353-0583 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Antibacterial Compounds Library (13827 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with S353-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S353-0583?
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What is the minimum amount of S353-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S353-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S353-0583
  • 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 S353-0583 available by request