SC12-0092 Screening compound: N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-1-(4-methoxyphenyl)-N-tetrahydro-2H-pyran-4-yl-1-cyclopropanecarboxamide

SC12-0092 Screening compound: N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-1-(4-methoxyphenyl)-N-tetrahydro-2H-pyran-4-yl-1-cyclopropanecarboxamide
SC12-0092 Screening compound: N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-1-(4-methoxyphenyl)-N-tetrahydro-2H-pyran-4-yl-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC12-0092
N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-1-(4-methoxyphenyl)-N-tetrahydro-2H-pyran-4-yl-1-cyclopropanecarboxamide

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

SC12-0092

Molecular Formula

C28H36N2O3 (C28 H36 N2 O3)

Compound Name

N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-1-(4-methoxyphenyl)-N-tetrahydro-2H-pyran-4-yl-1-cyclopropanecarboxamide

IUPAC name

1-(4-methoxyphenyl)-N-(oxan-4-yl)-N-[3-(1234-tetrahydroisoquinolin-2-yl)propyl]cyclopropane-1-carboxamide

SMILES

COc1ccc(C2(CC2)C(N(CCCN(CC2)Cc3c2cccc3)C2CCOCC2)=O)cc1

InChI

InChI=1S/C28H36N2O3/c1-32-26-9-7-24(8-10-26)28(14-15-28)27(31)30(25-12-19-33-20-13-25)17-4-16-29-18-11-22-5-2-3-6-23(22)21-29/h2-3,5-10,25H,4,11-21H2,1H3

InChI Key

DHFHXICJXZRACA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32254042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.046

Distribution Coefficient, logD

3.069

Water Solubility, LogSw

-4.03

Polar Surface Area

34.749

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

8.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.57

SC12-0092 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC12-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC12-0092?
Check Price and Availability of SC12-0092, 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 SC12-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC12-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC12-0092
  • 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 SC12-0092 available by request