8008-3413 Screening compound: 2-(3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)-3-phenylpropanamide

8008-3413 Screening compound: 2-(3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)-3-phenylpropanamide
8008-3413 Screening compound: 2-(3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3413
2-(3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)-3-phenylpropanamide

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

8008-3413

Molecular Formula

C20H22N2O (C20 H22 N2 O)

Compound Name

2-(3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)-3-phenylpropanamide

IUPAC name

2-(33-dimethyl-34-dihydroisoquinolin-1-yl)-3-phenylpropanamide

SMILES

CC(C)(C1)N=C(C(Cc2ccccc2)C(N)=O)c2c1cccc2

InChI

InChI=1S/C20H22N2O/c1-20(2)13-15-10-6-7-11-16(15)18(22-20)17(19(21)23)12-14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3,(H2,21,23)/t17-/m1/s1

InChI Key

TXRJSAMIVNOIIW-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD00652581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.553

Distribution Coefficient, logD

3.553

Water Solubility, LogSw

-3.72

Polar Surface Area

41.898

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8008-3413 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8008-3413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3413?
Check Price and Availability of 8008-3413, 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 8008-3413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3413
  • 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 8008-3413 available by request