SC12-0057 Screening compound: N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-N-tetrahydro-2H-pyran-4-yl-6-quinolinecarboxamide

SC12-0057 Screening compound: N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-N-tetrahydro-2H-pyran-4-yl-6-quinolinecarboxamide
SC12-0057 Screening compound: N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-N-tetrahydro-2H-pyran-4-yl-6-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC12-0057
N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-N-tetrahydro-2H-pyran-4-yl-6-quinolinecarboxamide

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

SC12-0057

Molecular Formula

C27H31N3O2 (C27 H31 N3 O2)

Compound Name

N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-N-tetrahydro-2H-pyran-4-yl-6-quinolinecarboxamide

IUPAC name

N-(oxan-4-yl)-N-[3-(1234-tetrahydroisoquinolin-2-yl)propyl]quinoline-6-carboxamide

SMILES

O=C(c1cc2cccnc2cc1)N(CCCN(CC1)Cc2c1cccc2)C1CCOCC1

InChI

InChI=1S/C27H31N3O2/c31-27(23-8-9-26-22(19-23)7-3-13-28-26)30(25-11-17-32-18-12-25)15-4-14-29-16-10-21-5-1-2-6-24(21)20-29/h1-3,5-9,13,19,25H,4,10-12,14-18,20H2

InChI Key

ZJEDJDORHQBCKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32255450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.641

Distribution Coefficient, logD

2.716

Water Solubility, LogSw

-3.69

Polar Surface Area

35.717

Acid Dissociation Constant (pKa)

25.80

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.74

SC12-0057 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with SC12-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC12-0057?
Check Price and Availability of SC12-0057, 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 SC12-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC12-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC12-0057
  • 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 SC12-0057 available by request