8264-0680 Screening compound: N-(2-methoxyethyl)-2-{4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamido}benzamide

8264-0680 Screening compound: N-(2-methoxyethyl)-2-{4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamido}benzamide
8264-0680 Screening compound: N-(2-methoxyethyl)-2-{4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamido}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8264-0680
N-(2-methoxyethyl)-2-{4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamido}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

8264-0680

Molecular Formula

C27H29N3O3 (C27 H29 N3 O3)

Compound Name

N-(2-methoxyethyl)-2-{4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamido}benzamide

IUPAC name

N-(2-methoxyethyl)-2-{4-[(1234-tetrahydroisoquinolin-2-yl)methyl]benzamido}benzamide

SMILES

COCCNC(c(cccc1)c1NC(c1ccc(CN(CC2)Cc3c2cccc3)cc1)=O)=O

InChI

InChI=1S/C27H29N3O3/c1-33-17-15-28-27(32)24-8-4-5-9-25(24)29-26(31)22-12-10-20(11-13-22)18-30-16-14-21-6-2-3-7-23(21)19-30/h2-13H,14-19H2,1H3,(H,28,32)(H,29,31)

InChI Key

DWJYZIQNVCCBTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04361296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.659

Distribution Coefficient, logD

3.358

Water Solubility, LogSw

-3.75

Polar Surface Area

58.895

Acid Dissociation Constant (pKa)

8.74

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

8264-0680 in Drug Discovery

Included in Screening Libraries

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 8264-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8264-0680?
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What is the minimum amount of 8264-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8264-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8264-0680
  • 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 8264-0680 available by request