5905-2737 Screening compound: ethyl 4-{4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamido}benzoate

5905-2737 Screening compound: ethyl 4-{4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamido}benzoate
5905-2737 Screening compound: ethyl 4-{4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5905-2737
ethyl 4-{4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamido}benzoate

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

5905-2737

Molecular Formula

C26H26N2O3 (C26 H26 N2 O3)

Compound Name

ethyl 4-{4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamido}benzoate

IUPAC name

ethyl 4-{4-[(1234-tetrahydroisoquinolin-2-yl)methyl]benzamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(c1ccc(CN(CC2)Cc3c2cccc3)cc1)=O)=O

InChI

InChI=1S/C26H26N2O3/c1-2-31-26(30)22-11-13-24(14-12-22)27-25(29)21-9-7-19(8-10-21)17-28-16-15-20-5-3-4-6-23(20)18-28/h3-14H,2,15-18H2,1H3,(H,27,29)

InChI Key

PFNLTXPEWXUGPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01167905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.044

Distribution Coefficient, logD

4.759

Water Solubility, LogSw

-4.46

Polar Surface Area

47.478

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

5905-2737 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5905-2737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5905-2737?
Check Price and Availability of 5905-2737, 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 5905-2737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5905-2737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5905-2737
  • 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 5905-2737 available by request