S368-0019 Screening compound: 2-[6-(4-chlorophenyl)-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

S368-0019 Screening compound: 2-[6-(4-chlorophenyl)-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline
S368-0019 Screening compound: 2-[6-(4-chlorophenyl)-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound S368-0019
2-[6-(4-chlorophenyl)-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

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

S368-0019

Molecular Formula

C22H20ClN3O2 (C22 H20 ClN3 O2)

Compound Name

2-[6-(4-chlorophenyl)-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[6-(4-chlorophenyl)-4H6H7H-pyrazolo[32-c][14]oxazine-2-carbonyl]-1234-tetrahydroisoquinoline

SMILES

O=C(c1nn(CC(c(cc2)ccc2Cl)OC2)c2c1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C22H20ClN3O2/c23-18-7-5-16(6-8-18)21-13-26-19(14-28-21)11-20(24-26)22(27)25-10-9-15-3-1-2-4-17(15)12-25/h1-8,11,21H,9-10,12-14H2/t21-/m0/s1

InChI Key

MVTJFKMMOYISLJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD29001342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.672

Distribution Coefficient, logD

3.672

Water Solubility, LogSw

-4.41

Polar Surface Area

38.292

Acid Dissociation Constant (pKa)

23.23

Base Dissociation Constant (pKb)

-3.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

S368-0019 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 S368-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S368-0019?
Check Price and Availability of S368-0019, 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 S368-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S368-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S368-0019
  • 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 S368-0019 available by request