S357-0823 Screening compound: N-(4-ethylphenyl)-1-[6-(4-fluorophenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide

S357-0823 Screening compound: N-(4-ethylphenyl)-1-[6-(4-fluorophenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
S357-0823 Screening compound: N-(4-ethylphenyl)-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 S357-0823
N-(4-ethylphenyl)-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

S357-0823

Molecular Formula

C27H29FN4O3 (C27 H29 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1NC(C(CC1)CCN1C(c1c(COC(C2)c(cc3)ccc3F)n2cn1)=O)=O

InChI

InChI=1S/C27H29FN4O3/c1-2-18-3-9-22(10-4-18)30-26(33)20-11-13-31(14-12-20)27(34)25-23-16-35-24(15-32(23)17-29-25)19-5-7-21(28)8-6-19/h3-10,17,20,24H,2,11-16H2,1H3,(H,30,33)/t24-/m0/s1

InChI Key

XVKLRXFHOHBTGT-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD29000722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.017

Distribution Coefficient, logD

3.017

Water Solubility, LogSw

-3.22

Polar Surface Area

59.661

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

S357-0823 in Drug Discovery

Included in Screening Libraries

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

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
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S357-0823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S357-0823?
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What is the minimum amount of S357-0823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S357-0823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S357-0823
  • 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 S357-0823 available by request