S618-1416 Screening compound: N-({1-[(3-chlorophenyl)methyl]-3-(dimethylamino)piperidin-4-yl}methyl)-2-methoxyacetamide

S618-1416 Screening compound: N-({1-[(3-chlorophenyl)methyl]-3-(dimethylamino)piperidin-4-yl}methyl)-2-methoxyacetamide
S618-1416 Screening compound: N-({1-[(3-chlorophenyl)methyl]-3-(dimethylamino)piperidin-4-yl}methyl)-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S618-1416
N-({1-[(3-chlorophenyl)methyl]-3-(dimethylamino)piperidin-4-yl}methyl)-2-methoxyacetamide

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

S618-1416

Molecular Formula

C18H28ClN3O2 (C18 H28 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(C)[C@@H]1[C@H](CNC(COC)=O)CCN(Cc2cccc(Cl)c2)C1

InChI

InChI=1S/C18H28ClN3O2/c1-21(2)17-12-22(11-14-5-4-6-16(19)9-14)8-7-15(17)10-20-18(23)13-24-3/h4-6,9,15,17H,7-8,10-13H2,1-3H3,(H,20,23)/t15-,17+/m1/s1

InChI Key

XONNQHFSMAVMCE-WBVHZDCISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.248

Distribution Coefficient, logD

-0.386

Water Solubility, LogSw

-2.52

Polar Surface Area

38.711

Acid Dissociation Constant (pKa)

14.85

Base Dissociation Constant (pKb)

9.02

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.10

S618-1416 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S618-1416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S618-1416?
Check Price and Availability of S618-1416, 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 S618-1416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S618-1416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S618-1416
  • 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 S618-1416 available by request