4459-0113 Screening compound: 6-[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]hexanoic acid

4459-0113 Screening compound: 6-[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]hexanoic acid
4459-0113 Screening compound: 6-[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4459-0113
6-[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]hexanoic acid

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

4459-0113

Molecular Formula

C17H24N2O2 (C17 H24 N2 O2)

Compound Name

6-[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]hexanoic acid

IUPAC name

6-[(33-dimethyl-34-dihydroisoquinolin-1-yl)amino]hexanoic acid

SMILES

CC(C)(Cc1c2cccc1)N=C2NCCCCCC(O)=O

InChI

InChI=1S/C17H24N2O2/c1-17(2)12-13-8-5-6-9-14(13)16(19-17)18-11-7-3-4-10-15(20)21/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,18,19)(H,20,21)

InChI Key

OMUPUTZSPUEWKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00608483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.208

Distribution Coefficient, logD

2.208

Water Solubility, LogSw

-2.84

Polar Surface Area

48.414

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

10.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

4459-0113 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4459-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4459-0113?
Check Price and Availability of 4459-0113, 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 4459-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4459-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4459-0113
  • 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 4459-0113 available by request