7287-0644 Screening compound: 4a-chloro-1-phenyl-2-(3,4,5-trimethoxybenzoyl)-decahydroisoquinoline

7287-0644 Screening compound: 4a-chloro-1-phenyl-2-(3,4,5-trimethoxybenzoyl)-decahydroisoquinoline
7287-0644 Screening compound: 4a-chloro-1-phenyl-2-(3,4,5-trimethoxybenzoyl)-decahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 7287-0644
4a-chloro-1-phenyl-2-(3,4,5-trimethoxybenzoyl)-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

7287-0644

Molecular Formula

C25H30ClNO4 (C25 H30 ClNO4)

Compound Name

4a-chloro-1-phenyl-2-(3,4,5-trimethoxybenzoyl)-decahydroisoquinoline

IUPAC name

4a-chloro-1-phenyl-2-(345-trimethoxybenzoyl)-decahydroisoquinoline

SMILES

COc1cc(C(N(CCC2(C3CCCC2)Cl)C3c2ccccc2)=O)cc(OC)c1OC

InChI

InChI=1S/C25H30ClNO4/c1-29-20-15-18(16-21(30-2)23(20)31-3)24(28)27-14-13-25(26)12-8-7-11-19(25)22(27)17-9-5-4-6-10-17/h4-6,9-10,15-16,19,22H,7-8,11-14H2,1-3H3

InChI Key

LRWSGTAEMDTYPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05843480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.085

Distribution Coefficient, logD

5.085

Water Solubility, LogSw

-5.52

Polar Surface Area

39.031

Acid Dissociation Constant (pKa)

24.64

Base Dissociation Constant (pKb)

-4.74

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

48.00

7287-0644 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7287-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7287-0644?
Check Price and Availability of 7287-0644, 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 7287-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7287-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7287-0644
  • 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 7287-0644 available by request