S353-0538 Screening compound: N-cyclopropyl-1-[6-(4-methylphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide

S353-0538 Screening compound: N-cyclopropyl-1-[6-(4-methylphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide
S353-0538 Screening compound: N-cyclopropyl-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 S353-0538
N-cyclopropyl-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

S353-0538

Molecular Formula

C22H27N5O3 (C22 H27 N5 O3)

Compound Name

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

SMILES

Cc1ccc(C2OCc3c(C(N(CC4)CCC4C(NC4CC4)=O)=O)nnn3C2)cc1

InChI

InChI=1S/C22H27N5O3/c1-14-2-4-15(5-3-14)19-12-27-18(13-30-19)20(24-25-27)22(29)26-10-8-16(9-11-26)21(28)23-17-6-7-17/h2-5,16-17,19H,6-13H2,1H3,(H,23,28)/t19-/m1/s1

InChI Key

CDOAVURKURKCPO-LJQANCHMSA-N

MDL Number (MFCD)

MFCD29033057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.067

Distribution Coefficient, logD

1.067

Water Solubility, LogSw

-1.80

Polar Surface Area

75.878

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.50

S353-0538 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)

Beyond the Flatland Library sp3 enriched (92988 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
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S353-0538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S353-0538?
Check Price and Availability of S353-0538, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S353-0538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S353-0538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S353-0538
  • 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 S353-0538 available by request