7287-0636 Screening compound: 2-benzoyl-4a-chloro-1-phenyl-decahydroisoquinoline

7287-0636 Screening compound: 2-benzoyl-4a-chloro-1-phenyl-decahydroisoquinoline
7287-0636 Screening compound: 2-benzoyl-4a-chloro-1-phenyl-decahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 7287-0636
2-benzoyl-4a-chloro-1-phenyl-decahydroisoquinoline

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

7287-0636

Molecular Formula

C22H24ClNO (C22 H24 ClNO)

Compound Name

2-benzoyl-4a-chloro-1-phenyl-decahydroisoquinoline

IUPAC name

2-benzoyl-4a-chloro-1-phenyl-decahydroisoquinoline

SMILES

O=C(c1ccccc1)N(CCC1(C2CCCC1)Cl)C2c1ccccc1

InChI

InChI=1S/C22H24ClNO/c23-22-14-8-7-13-19(22)20(17-9-3-1-4-10-17)24(16-15-22)21(25)18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16H2

InChI Key

NGNPHNWIFLLNLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05718565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.89

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.265

Distribution Coefficient, logD

5.265

Water Solubility, LogSw

-6.01

Polar Surface Area

16.053

Acid Dissociation Constant (pKa)

24.64

Base Dissociation Constant (pKb)

-4.59

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.90

7287-0636 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7287-0636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7287-0636?
Check Price and Availability of 7287-0636, 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 7287-0636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7287-0636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7287-0636
  • 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 7287-0636 available by request