4459-0037 Screening compound: 2-[(1Z)-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-ylidene]-N-(4-methylphenyl)acetamide

4459-0037 Screening compound: 2-[(1Z)-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-ylidene]-N-(4-methylphenyl)acetamide
4459-0037 Screening compound: 2-[(1Z)-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-ylidene]-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4459-0037
2-[(1Z)-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-ylidene]-N-(4-methylphenyl)acetamide

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

4459-0037

Molecular Formula

C20H22N2O (C20 H22 N2 O)

Compound Name

2-[(1Z)-3,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-ylidene]-N-(4-methylphenyl)acetamide

IUPAC name

2-[(1Z)-33-dimethyl-1234-tetrahydroisoquinolin-1-ylidene]-N-(4-methylphenyl)acetamide

SMILES

CC(C)(Cc1c2cccc1)N/C2=C\C(Nc1ccc(C)cc1)=O

InChI

InChI=1S/C20H22N2O/c1-14-8-10-16(11-9-14)21-19(23)12-18-17-7-5-4-6-15(17)13-20(2,3)22-18/h4-12,22H,13H2,1-3H3,(H,21,23)

InChI Key

BXCCVZJYGJIDAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01565338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.391

Distribution Coefficient, logD

4.391

Water Solubility, LogSw

-4.46

Polar Surface Area

34.139

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4459-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4459-0037?
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What is the minimum amount of 4459-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4459-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4459-0037
  • 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 4459-0037 available by request