S352-0014 Screening compound: 2-(4-chlorophenyl)-1-(4-{6-phenyl-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-carbonyl}piperazin-1-yl)ethan-1-one

S352-0014 Screening compound: 2-(4-chlorophenyl)-1-(4-{6-phenyl-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-carbonyl}piperazin-1-yl)ethan-1-one
S352-0014 Screening compound: 2-(4-chlorophenyl)-1-(4-{6-phenyl-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-carbonyl}piperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S352-0014
2-(4-chlorophenyl)-1-(4-{6-phenyl-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-carbonyl}piperazin-1-yl)ethan-1-one

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

S352-0014

Molecular Formula

C24H24ClN5O3 (C24 H24 ClN5 O3)

Compound Name

2-(4-chlorophenyl)-1-(4-{6-phenyl-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-carbonyl}piperazin-1-yl)ethan-1-one

IUPAC name

2-(4-chlorophenyl)-1-(4-{6-phenyl-4H6H7H-[123]triazolo[43-c][14]oxazine-3-carbonyl}piperazin-1-yl)ethan-1-one

SMILES

O=C(Cc(cc1)ccc1Cl)N(CC1)CCN1C(c1c(COC(C2)c3ccccc3)n2nn1)=O

InChI

InChI=1S/C24H24ClN5O3/c25-19-8-6-17(7-9-19)14-22(31)28-10-12-29(13-11-28)24(32)23-20-16-33-21(15-30(20)27-26-23)18-4-2-1-3-5-18/h1-9,21H,10-16H2/t21-/m1/s1

InChI Key

FTVUYJZWPGAVDF-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD29032500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.197

Distribution Coefficient, logD

2.197

Water Solubility, LogSw

-2.65

Polar Surface Area

67.337

Acid Dissociation Constant (pKa)

17.74

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

S352-0014 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
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 S352-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S352-0014?
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What is the minimum amount of S352-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S352-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S352-0014
  • 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 S352-0014 available by request