S353-1069 Screening compound: N-(3-chlorophenyl)-1-[6-(4-methoxyphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide

S353-1069 Screening compound: N-(3-chlorophenyl)-1-[6-(4-methoxyphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide
S353-1069 Screening compound: N-(3-chlorophenyl)-1-[6-(4-methoxyphenyl)-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 S353-1069
N-(3-chlorophenyl)-1-[6-(4-methoxyphenyl)-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

S353-1069

Molecular Formula

C25H26ClN5O4 (C25 H26 ClN5 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C2OCc3c(C(N(CC4)CCC4C(Nc4cccc(Cl)c4)=O)=O)nnn3C2)cc1

InChI

InChI=1S/C25H26ClN5O4/c1-34-20-7-5-16(6-8-20)22-14-31-21(15-35-22)23(28-29-31)25(33)30-11-9-17(10-12-30)24(32)27-19-4-2-3-18(26)13-19/h2-8,13,17,22H,9-12,14-15H2,1H3,(H,27,32)/t22-/m1/s1

InChI Key

JOPXGGSHXGXGNB-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD29032654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.579

Distribution Coefficient, logD

2.578

Water Solubility, LogSw

-3.51

Polar Surface Area

82.043

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

S353-1069 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 S353-1069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S353-1069?
Check Price and Availability of S353-1069, 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 S353-1069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S353-1069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S353-1069
  • 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 S353-1069 available by request