SC12-0016 Screening compound: N-[(4-chlorophenyl)methyl]-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]oxan-4-amine

SC12-0016 Screening compound: N-[(4-chlorophenyl)methyl]-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]oxan-4-amine
SC12-0016 Screening compound: N-[(4-chlorophenyl)methyl]-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]oxan-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound SC12-0016
N-[(4-chlorophenyl)methyl]-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]oxan-4-amine

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

SC12-0016

Molecular Formula

C24H31ClN2O (C24 H31 ClN2 O)

Compound Name

N-[(4-chlorophenyl)methyl]-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]oxan-4-amine

IUPAC name

N-[(4-chlorophenyl)methyl]-N-[3-(1234-tetrahydroisoquinolin-2-yl)propyl]oxan-4-amine

SMILES

Clc1ccc(CN(CCCN(CC2)Cc3c2cccc3)C2CCOCC2)cc1

InChI

InChI=1S/C24H31ClN2O/c25-23-8-6-20(7-9-23)18-27(24-11-16-28-17-12-24)14-3-13-26-15-10-21-4-1-2-5-22(21)19-26/h1-2,4-9,24H,3,10-19H2

InChI Key

UGSNESRGBHZDMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32255007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.98

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.531

Distribution Coefficient, logD

4.110

Water Solubility, LogSw

-4.65

Polar Surface Area

14.346

Acid Dissociation Constant (pKa)

25.80

Base Dissociation Constant (pKb)

7.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

SC12-0016 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 SC12-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC12-0016?
Check Price and Availability of SC12-0016, 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 SC12-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC12-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC12-0016
  • 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 SC12-0016 available by request