D672-0079 Screening compound: N-[(2-methoxyphenyl)methyl]-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide

D672-0079 Screening compound: N-[(2-methoxyphenyl)methyl]-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide
D672-0079 Screening compound: N-[(2-methoxyphenyl)methyl]-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D672-0079
N-[(2-methoxyphenyl)methyl]-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

D672-0079

Molecular Formula

C25H26N2O2 (C25 H26 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1c(CNC(c2ccc(CN(CC3)Cc4c3cccc4)cc2)=O)cccc1

InChI

InChI=1S/C25H26N2O2/c1-29-24-9-5-4-7-22(24)16-26-25(28)21-12-10-19(11-13-21)17-27-15-14-20-6-2-3-8-23(20)18-27/h2-13H,14-18H2,1H3,(H,26,28)

InChI Key

OCOZYDOFUGZJJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04089716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.49

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

4.330

Distribution Coefficient, logD

4.049

Water Solubility, LogSw

-4.24

Polar Surface Area

35.677

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

D672-0079 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CNS Targets (44014 compounds)

Proline Kinase Library (2105 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Others
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D672-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D672-0079?
Check Price and Availability of D672-0079, 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 D672-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D672-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D672-0079
  • 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 D672-0079 available by request