SC12-0004 Screening compound: N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-1,2-dimethyl-N-tetrahydro-2H-pyran-4-yl-1H-imidazole-4-sulfonamide

SC12-0004 Screening compound: N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-1,2-dimethyl-N-tetrahydro-2H-pyran-4-yl-1H-imidazole-4-sulfonamide
SC12-0004 Screening compound: N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-1,2-dimethyl-N-tetrahydro-2H-pyran-4-yl-1H-imidazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC12-0004
N-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-1,2-dimethyl-N-tetrahydro-2H-pyran-4-yl-1H-imidazole-4-sulfonamide

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

SC12-0004

Molecular Formula

C22H32N4O3S (C22 H32 N4 O3 S)

Compound Name

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

IUPAC name

12-dimethyl-N-(oxan-4-yl)-N-[3-(1234-tetrahydroisoquinolin-2-yl)propyl]-1H-imidazole-4-sulfonamide

SMILES

Cc1nc(S(N(CCCN(CC2)Cc3c2cccc3)C2CCOCC2)(=O)=O)cn1C

InChI

InChI=1S/C22H32N4O3S/c1-18-23-22(17-24(18)2)30(27,28)26(21-9-14-29-15-10-21)12-5-11-25-13-8-19-6-3-4-7-20(19)16-25/h3-4,6-7,17,21H,5,8-16H2,1-2H3

InChI Key

JCKFEYYNGLTKLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32254895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.185

Distribution Coefficient, logD

1.740

Water Solubility, LogSw

-2.36

Polar Surface Area

55.507

Acid Dissociation Constant (pKa)

25.80

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.09

SC12-0004 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with SC12-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC12-0004?
Check Price and Availability of SC12-0004, 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 SC12-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC12-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC12-0004
  • 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 SC12-0004 available by request