SC12-0045 Screening compound: 2-(2-chlorophenyl)-N-(oxan-4-yl)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]acetamide

SC12-0045 Screening compound: 2-(2-chlorophenyl)-N-(oxan-4-yl)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]acetamide
SC12-0045 Screening compound: 2-(2-chlorophenyl)-N-(oxan-4-yl)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC12-0045
2-(2-chlorophenyl)-N-(oxan-4-yl)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]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

SC12-0045

Molecular Formula

C25H31ClN2O2 (C25 H31 ClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cc(cccc1)c1Cl)N(CCCN(CC1)Cc2c1cccc2)C1CCOCC1

InChI

InChI=1S/C25H31ClN2O2/c26-24-9-4-3-7-21(24)18-25(29)28(23-11-16-30-17-12-23)14-5-13-27-15-10-20-6-1-2-8-22(20)19-27/h1-4,6-9,23H,5,10-19H2

InChI Key

FIRDAJRRJFZQPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32255346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.99

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.442

Distribution Coefficient, logD

3.465

Water Solubility, LogSw

-4.38

Polar Surface Area

26.426

Acid Dissociation Constant (pKa)

18.79

Base Dissociation Constant (pKb)

8.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

SC12-0045 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with SC12-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC12-0045?
Check Price and Availability of SC12-0045, 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 SC12-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC12-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC12-0045
  • 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 SC12-0045 available by request