S357-0099 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[6-(4-fluorophenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide

S357-0099 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[6-(4-fluorophenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
S357-0099 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-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 S357-0099
N-[2-(cyclohex-1-en-1-yl)ethyl]-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

S357-0099

Molecular Formula

C27H33FN4O3 (C27 H33 FN4 O3)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[6-(4-fluorophenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-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)NCCC1=CCCCC1

InChI

InChI=1S/C27H33FN4O3/c28-22-8-6-20(7-9-22)24-16-32-18-30-25(23(32)17-35-24)27(34)31-14-11-21(12-15-31)26(33)29-13-10-19-4-2-1-3-5-19/h4,6-9,18,21,24H,1-3,5,10-17H2,(H,29,33)/t24-/m0/s1

InChI Key

FTSXXCDLZFGCLM-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD29000607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.319

Distribution Coefficient, logD

2.319

Water Solubility, LogSw

-2.77

Polar Surface Area

61.017

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.90

S357-0099 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)

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
  • 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 S357-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S357-0099?
Check Price and Availability of S357-0099, 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 S357-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S357-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S357-0099
  • 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 S357-0099 available by request