S352-0447 Screening compound: 1-(2-chloro-5-fluorobenzoyl)-4-[6-(4-methoxyphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-carbonyl]piperazine

S352-0447 Screening compound: 1-(2-chloro-5-fluorobenzoyl)-4-[6-(4-methoxyphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-carbonyl]piperazine
S352-0447 Screening compound: 1-(2-chloro-5-fluorobenzoyl)-4-[6-(4-methoxyphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound S352-0447
1-(2-chloro-5-fluorobenzoyl)-4-[6-(4-methoxyphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-carbonyl]piperazine

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

S352-0447

Molecular Formula

C24H23ClFN5O4 (C24 H23 ClFN5 O4)

Compound Name

1-(2-chloro-5-fluorobenzoyl)-4-[6-(4-methoxyphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-carbonyl]piperazine

IUPAC name

1-(2-chloro-5-fluorobenzoyl)-4-[6-(4-methoxyphenyl)-4H6H7H-[123]triazolo[43-c][14]oxazine-3-carbonyl]piperazine

SMILES

COc1ccc(C2OCc3c(C(N(CC4)CCN4C(c(cc(cc4)F)c4Cl)=O)=O)nnn3C2)cc1

InChI

InChI=1S/C24H23ClFN5O4/c1-34-17-5-2-15(3-6-17)21-13-31-20(14-35-21)22(27-28-31)24(33)30-10-8-29(9-11-30)23(32)18-12-16(26)4-7-19(18)25/h2-7,12,21H,8-11,13-14H2,1H3/t21-/m1/s1

InChI Key

OJRLZVHDSPETNW-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD29032581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.201

Distribution Coefficient, logD

2.201

Water Solubility, LogSw

-3.29

Polar Surface Area

75.408

Acid Dissociation Constant (pKa)

19.03

Base Dissociation Constant (pKb)

-2.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

S352-0447 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 S352-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S352-0447?
Check Price and Availability of S352-0447, 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 S352-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S352-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S352-0447
  • 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 S352-0447 available by request