S357-1092 Screening compound: N-(2-fluoro-4-methylphenyl)-1-[6-(4-methoxyphenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide

S357-1092 Screening compound: N-(2-fluoro-4-methylphenyl)-1-[6-(4-methoxyphenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
S357-1092 Screening compound: N-(2-fluoro-4-methylphenyl)-1-[6-(4-methoxyphenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S357-1092
N-(2-fluoro-4-methylphenyl)-1-[6-(4-methoxyphenyl)-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

S357-1092

Molecular Formula

C27H29FN4O4 (C27 H29 FN4 O4)

Compound Name

N-(2-fluoro-4-methylphenyl)-1-[6-(4-methoxyphenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide

IUPAC name

N-(2-fluoro-4-methylphenyl)-1-[6-(4-methoxyphenyl)-5H6H8H-imidazo[43-c][14]oxazine-1-carbonyl]piperidine-4-carboxamide

SMILES

Cc(cc1)cc(F)c1NC(C(CC1)CCN1C(c1c(COC(C2)c(cc3)ccc3OC)n2cn1)=O)=O

InChI

InChI=1S/C27H29FN4O4/c1-17-3-8-22(21(28)13-17)30-26(33)19-9-11-31(12-10-19)27(34)25-23-15-36-24(14-32(23)16-29-25)18-4-6-20(35-2)7-5-18/h3-8,13,16,19,24H,9-12,14-15H2,1-2H3,(H,30,33)/t24-/m1/s1

InChI Key

DROQGDWFAZSYMM-XMMPIXPASA-N

MDL Number (MFCD)

MFCD29000713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.681

Distribution Coefficient, logD

2.680

Water Solubility, LogSw

-3.00

Polar Surface Area

66.507

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

S357-1092 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

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

Protein-Protein Interaction Library (218420 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

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with S357-1092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S357-1092?
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What is the minimum amount of S357-1092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S357-1092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S357-1092
  • 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 S357-1092 available by request