SC12-0040 Screening compound: N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-3-fluoro-4-methyl-N-tetrahydro-2H-pyran-4-yl-1-benzenesulfonamide

SC12-0040 Screening compound: N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-3-fluoro-4-methyl-N-tetrahydro-2H-pyran-4-yl-1-benzenesulfonamide
SC12-0040 Screening compound: N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-3-fluoro-4-methyl-N-tetrahydro-2H-pyran-4-yl-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC12-0040
N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-3-fluoro-4-methyl-N-tetrahydro-2H-pyran-4-yl-1-benzenesulfonamide

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

SC12-0040

Molecular Formula

C24H31FN2O3S (C24 H31 FN2 O3 S)

Compound Name

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

IUPAC name

3-fluoro-4-methyl-N-(oxan-4-yl)-N-[3-(1234-tetrahydroisoquinolin-2-yl)propyl]benzene-1-sulfonamide

SMILES

Cc(ccc(S(N(CCCN(CC1)Cc2c1cccc2)C1CCOCC1)(=O)=O)c1)c1F

InChI

InChI=1S/C24H31FN2O3S/c1-19-7-8-23(17-24(19)25)31(28,29)27(22-10-15-30-16-11-22)13-4-12-26-14-9-20-5-2-3-6-21(20)18-26/h2-3,5-8,17,22H,4,9-16,18H2,1H3

InChI Key

LBHBDUBBLKLTFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32255343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.351

Distribution Coefficient, logD

3.906

Water Solubility, LogSw

-4.16

Polar Surface Area

43.157

Acid Dissociation Constant (pKa)

25.80

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

SC12-0040 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Pharmacophore Based Diversity Library (49813 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 SC12-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC12-0040?
Check Price and Availability of SC12-0040, 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 SC12-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC12-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC12-0040
  • 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 SC12-0040 available by request