S618-3089 Screening compound: N-{[1-(2-chlorobenzenesulfonyl)-3-(dimethylamino)piperidin-4-yl]methyl}-N-methylacetamide

S618-3089 Screening compound: N-{[1-(2-chlorobenzenesulfonyl)-3-(dimethylamino)piperidin-4-yl]methyl}-N-methylacetamide
S618-3089 Screening compound: N-{[1-(2-chlorobenzenesulfonyl)-3-(dimethylamino)piperidin-4-yl]methyl}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S618-3089
N-{[1-(2-chlorobenzenesulfonyl)-3-(dimethylamino)piperidin-4-yl]methyl}-N-methylacetamide

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

S618-3089

Molecular Formula

C17H26ClN3O3S (C17 H26 ClN3 O3 S)

Compound Name

N-{[1-(2-chlorobenzenesulfonyl)-3-(dimethylamino)piperidin-4-yl]methyl}-N-methylacetamide

IUPAC name

N-{[(3S4R)-1-(2-chlorobenzenesulfonyl)-3-(dimethylamino)piperidin-4-yl]methyl}-N-methylacetamide

SMILES

CC(N(C)C[C@H](CCN(C1)S(c(cccc2)c2Cl)(=O)=O)[C@H]1N(C)C)=O

InChI

InChI=1S/C17H26ClN3O3S/c1-13(22)20(4)11-14-9-10-21(12-16(14)19(2)3)25(23,24)17-8-6-5-7-15(17)18/h5-8,14,16H,9-12H2,1-4H3/t14-,16+/m1/s1

InChI Key

IFLKNNSELBRJNT-ZBFHGGJFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.204

Distribution Coefficient, logD

1.045

Water Solubility, LogSw

-2.55

Polar Surface Area

50.684

Acid Dissociation Constant (pKa)

24.05

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.82

S618-3089 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Anti-HIV1 Library (19540 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S618-3089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S618-3089?
Check Price and Availability of S618-3089, 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 S618-3089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S618-3089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S618-3089
  • 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 S618-3089 available by request