S357-0863 Screening compound: N-(3,5-difluorophenyl)-1-[6-(4-fluorophenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide

S357-0863 Screening compound: N-(3,5-difluorophenyl)-1-[6-(4-fluorophenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
S357-0863 Screening compound: N-(3,5-difluorophenyl)-1-[6-(4-fluorophenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S357-0863
N-(3,5-difluorophenyl)-1-[6-(4-fluorophenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazine-1-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

S357-0863

Molecular Formula

C25H23F3N4O3 (C25 H23 F3 N4 O3)

Compound Name

N-(3,5-difluorophenyl)-1-[6-(4-fluorophenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide

IUPAC name

N-(35-difluorophenyl)-1-[6-(4-fluorophenyl)-5H6H8H-imidazo[43-c][14]oxazine-1-carbonyl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1C(c1c(COC(C2)c(cc3)ccc3F)n2cn1)=O)Nc1cc(F)cc(F)c1

InChI

InChI=1S/C25H23F3N4O3/c26-17-3-1-15(2-4-17)22-12-32-14-29-23(21(32)13-35-22)25(34)31-7-5-16(6-8-31)24(33)30-20-10-18(27)9-19(28)11-20/h1-4,9-11,14,16,22H,5-8,12-13H2,(H,30,33)/t22-/m1/s1

InChI Key

KEFJPBAWJIEUOC-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD29000736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.549

Distribution Coefficient, logD

2.499

Water Solubility, LogSw

-2.92

Polar Surface Area

59.661

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

S357-0863 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

Bromodomain Modulators Library (5801 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S357-0863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S357-0863?
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What is the minimum amount of S357-0863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S357-0863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S357-0863
  • 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 S357-0863 available by request