SC12-0102 Screening compound: 4-(acetylamino)-N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-N-tetrahydro-2H-pyran-4-ylbenzamide

SC12-0102 Screening compound: 4-(acetylamino)-N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-N-tetrahydro-2H-pyran-4-ylbenzamide
SC12-0102 Screening compound: 4-(acetylamino)-N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-N-tetrahydro-2H-pyran-4-ylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC12-0102
4-(acetylamino)-N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-N-tetrahydro-2H-pyran-4-ylbenzamide

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

SC12-0102

Molecular Formula

C26H33N3O3 (C26 H33 N3 O3)

Compound Name

4-(acetylamino)-N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-N-tetrahydro-2H-pyran-4-ylbenzamide

IUPAC name

4-acetamido-N-(oxan-4-yl)-N-[3-(1234-tetrahydroisoquinolin-2-yl)propyl]benzamide

SMILES

CC(Nc(cc1)ccc1C(N(CCCN(CC1)Cc2c1cccc2)C1CCOCC1)=O)=O

InChI

InChI=1S/C26H33N3O3/c1-20(30)27-24-9-7-22(8-10-24)26(31)29(25-12-17-32-18-13-25)15-4-14-28-16-11-21-5-2-3-6-23(21)19-28/h2-3,5-10,25H,4,11-19H2,1H3,(H,27,30)

InChI Key

IJLAASYHBPLKAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32254046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.872

Distribution Coefficient, logD

1.947

Water Solubility, LogSw

-3.24

Polar Surface Area

50.216

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

SC12-0102 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with SC12-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC12-0102?
Check Price and Availability of SC12-0102, 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 SC12-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC12-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC12-0102
  • 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 SC12-0102 available by request