S618-1426 Screening compound: N-({1-[(4-cyanophenyl)methyl]-3-(dimethylamino)piperidin-4-yl}methyl)-2-methoxyacetamide

S618-1426 Screening compound: N-({1-[(4-cyanophenyl)methyl]-3-(dimethylamino)piperidin-4-yl}methyl)-2-methoxyacetamide
S618-1426 Screening compound: N-({1-[(4-cyanophenyl)methyl]-3-(dimethylamino)piperidin-4-yl}methyl)-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S618-1426
N-({1-[(4-cyanophenyl)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

S618-1426

Molecular Formula

C19H28N4O2 (C19 H28 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(C)[C@@H]1[C@H](CNC(COC)=O)CCN(Cc(cc2)ccc2C#N)C1

InChI

InChI=1S/C19H28N4O2/c1-22(2)18-13-23(12-16-6-4-15(10-20)5-7-16)9-8-17(18)11-21-19(24)14-25-3/h4-7,17-18H,8-9,11-14H2,1-3H3,(H,21,24)/t17-,18-/m0/s1

InChI Key

BUAGTQFSBHUTRZ-ROUUACIJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.247

Distribution Coefficient, logD

-1.387

Water Solubility, LogSw

-1.90

Polar Surface Area

55.767

Acid Dissociation Constant (pKa)

14.85

Base Dissociation Constant (pKb)

9.02

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.90

S618-1426 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S618-1426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S618-1426?
Check Price and Availability of S618-1426, 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 S618-1426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S618-1426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S618-1426
  • 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 S618-1426 available by request