S353-0550 Screening compound: N-[(2-methoxyphenyl)methyl]-1-[6-(4-methylphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide

S353-0550 Screening compound: N-[(2-methoxyphenyl)methyl]-1-[6-(4-methylphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide
S353-0550 Screening compound: N-[(2-methoxyphenyl)methyl]-1-[6-(4-methylphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S353-0550
N-[(2-methoxyphenyl)methyl]-1-[6-(4-methylphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-carbonyl]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

S353-0550

Molecular Formula

C27H31N5O4 (C27 H31 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C2OCc3c(C(N(CC4)CCC4C(NCc(cccc4)c4OC)=O)=O)nnn3C2)cc1

InChI

InChI=1S/C27H31N5O4/c1-18-7-9-19(10-8-18)24-16-32-22(17-36-24)25(29-30-32)27(34)31-13-11-20(12-14-31)26(33)28-15-21-5-3-4-6-23(21)35-2/h3-10,20,24H,11-17H2,1-2H3,(H,28,33)/t24-/m1/s1

InChI Key

PLDXAOACXYPWON-XMMPIXPASA-N

MDL Number (MFCD)

MFCD29032703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.57

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

2.176

Distribution Coefficient, logD

2.176

Water Solubility, LogSw

-2.52

Polar Surface Area

83.452

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

S353-0550 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)

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

References: we are preparing a list of scientific research reports with S353-0550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S353-0550?
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What is the minimum amount of S353-0550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S353-0550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S353-0550
  • 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 S353-0550 available by request