G500-0847 Screening compound: 5-chloro-N-{2-[4-(dimethylamino)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl}-2-methoxybenzamide

G500-0847 Screening compound: 5-chloro-N-{2-[4-(dimethylamino)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl}-2-methoxybenzamide
G500-0847 Screening compound: 5-chloro-N-{2-[4-(dimethylamino)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl}-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G500-0847
5-chloro-N-{2-[4-(dimethylamino)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl}-2-methoxybenzamide

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

G500-0847

Molecular Formula

C27H30ClN3O2 (C27 H30 ClN3 O2)

Compound Name

5-chloro-N-{2-[4-(dimethylamino)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl}-2-methoxybenzamide

IUPAC name

5-chloro-N-{2-[4-(dimethylamino)phenyl]-2-(1234-tetrahydroisoquinolin-2-yl)ethyl}-2-methoxybenzamide

SMILES

CN(C)c1ccc(C(CNC(c(cc(cc2)Cl)c2OC)=O)N(CC2)Cc3c2cccc3)cc1

InChI

InChI=1S/C27H30ClN3O2/c1-30(2)23-11-8-20(9-12-23)25(31-15-14-19-6-4-5-7-21(19)18-31)17-29-27(32)24-16-22(28)10-13-26(24)33-3/h4-13,16,25H,14-15,17-18H2,1-3H3,(H,29,32)/t25-/m0/s1

InChI Key

LJFZYLJBZXDHNT-VWLOTQADSA-N

MDL Number (MFCD)

MFCD08533708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.01

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.521

Distribution Coefficient, logD

5.510

Water Solubility, LogSw

-5.99

Polar Surface Area

37.738

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

G500-0847 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with G500-0847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G500-0847?
Check Price and Availability of G500-0847, 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 G500-0847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G500-0847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G500-0847
  • 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 G500-0847 available by request