7894-3464 Screening compound: N-(2-phenoxyphenyl)-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide

7894-3464 Screening compound: N-(2-phenoxyphenyl)-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide
7894-3464 Screening compound: N-(2-phenoxyphenyl)-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7894-3464
N-(2-phenoxyphenyl)-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide

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

7894-3464

Molecular Formula

C29H26N2O2 (C29 H26 N2 O2)

Compound Name

N-(2-phenoxyphenyl)-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide

IUPAC name

N-(2-phenoxyphenyl)-4-[(1234-tetrahydroisoquinolin-2-yl)methyl]benzamide

SMILES

O=C(c1ccc(CN(CC2)Cc3c2cccc3)cc1)Nc(cccc1)c1Oc1ccccc1

InChI

InChI=1S/C29H26N2O2/c32-29(30-27-12-6-7-13-28(27)33-26-10-2-1-3-11-26)24-16-14-22(15-17-24)20-31-19-18-23-8-4-5-9-25(23)21-31/h1-17H,18-21H2,(H,30,32)

InChI Key

LAXBZXLYHYWUFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09440705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.979

Distribution Coefficient, logD

5.699

Water Solubility, LogSw

-6.05

Polar Surface Area

32.861

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

7894-3464 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 7894-3464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7894-3464?
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What is the minimum amount of 7894-3464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7894-3464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7894-3464
  • 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 7894-3464 available by request