S368-0358 Screening compound: 6-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazine-2-carboxamide

S368-0358 Screening compound: 6-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazine-2-carboxamide
S368-0358 Screening compound: 6-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S368-0358
6-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazine-2-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

S368-0358

Molecular Formula

C22H20ClN3O2 (C22 H20 ClN3 O2)

Compound Name

6-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazine-2-carboxamide

IUPAC name

6-(4-chlorophenyl)-N-(23-dihydro-1H-inden-5-yl)-4H6H7H-pyrazolo[32-c][14]oxazine-2-carboxamide

SMILES

O=C(c1nn(CC(c(cc2)ccc2Cl)OC2)c2c1)Nc1cc(CCC2)c2cc1

InChI

InChI=1S/C22H20ClN3O2/c23-17-7-4-15(5-8-17)21-12-26-19(13-28-21)11-20(25-26)22(27)24-18-9-6-14-2-1-3-16(14)10-18/h4-11,21H,1-3,12-13H2,(H,24,27)/t21-/m0/s1

InChI Key

IWLVXHZWSHSEBP-NRFANRHFSA-N

MDL Number (MFCD)

MFCD29001396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.356

Distribution Coefficient, logD

4.356

Water Solubility, LogSw

-4.86

Polar Surface Area

45.360

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

S368-0358 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S368-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S368-0358?
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What is the minimum amount of S368-0358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S368-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S368-0358
  • 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 S368-0358 available by request