SC05-0128 Screening compound: N~2~-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-N~2~-(1-methyl-4-piperidyl)-5,6,7,8-tetrahydro-2-naphthalenesulfonamide

SC05-0128 Screening compound: N~2~-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-N~2~-(1-methyl-4-piperidyl)-5,6,7,8-tetrahydro-2-naphthalenesulfonamide
SC05-0128 Screening compound: N~2~-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-N~2~-(1-methyl-4-piperidyl)-5,6,7,8-tetrahydro-2-naphthalenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC05-0128
N~2~-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-N~2~-(1-methyl-4-piperidyl)-5,6,7,8-tetrahydro-2-naphthalenesulfonamide

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

SC05-0128

Molecular Formula

C21H30N4O3S (C21 H30 N4 O3 S)

Compound Name

N~2~-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-N~2~-(1-methyl-4-piperidyl)-5,6,7,8-tetrahydro-2-naphthalenesulfonamide

IUPAC name

N-[2-(5-methyl-124-oxadiazol-3-yl)ethyl]-N-(1-methylpiperidin-4-yl)-5678-tetrahydronaphthalene-2-sulfonamide

SMILES

Cc1nc(CCN(C2CCN(C)CC2)S(c2cc(CCCC3)c3cc2)(=O)=O)no1

InChI

InChI=1S/C21H30N4O3S/c1-16-22-21(23-28-16)11-14-25(19-9-12-24(2)13-10-19)29(26,27)20-8-7-17-5-3-4-6-18(17)15-20/h7-8,15,19H,3-6,9-14H2,1-2H3

InChI Key

SCAQLAPYRZAVJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32253203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.256

Distribution Coefficient, logD

1.645

Water Solubility, LogSw

-3.42

Polar Surface Area

67.168

Acid Dissociation Constant (pKa)

25.48

Base Dissociation Constant (pKb)

9.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

SC05-0128 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC05-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC05-0128?
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What is the minimum amount of SC05-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC05-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC05-0128
  • 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 SC05-0128 available by request