S618-1064 Screening compound: N-({1-[(3-cyanophenyl)methyl]-3-(dimethylamino)piperidin-4-yl}methyl)cyclopropanecarboxamide

S618-1064 Screening compound: N-({1-[(3-cyanophenyl)methyl]-3-(dimethylamino)piperidin-4-yl}methyl)cyclopropanecarboxamide
S618-1064 Screening compound: N-({1-[(3-cyanophenyl)methyl]-3-(dimethylamino)piperidin-4-yl}methyl)cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S618-1064
N-({1-[(3-cyanophenyl)methyl]-3-(dimethylamino)piperidin-4-yl}methyl)cyclopropanecarboxamide

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

S618-1064

Molecular Formula

C20H28N4O (C20 H28 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CN(C)[C@@H]1[C@H](CNC(C2CC2)=O)CCN(Cc2cc(C#N)ccc2)C1

InChI

InChI=1S/C20H28N4O/c1-23(2)19-14-24(13-16-5-3-4-15(10-16)11-21)9-8-18(19)12-22-20(25)17-6-7-17/h3-5,10,17-19H,6-9,12-14H2,1-2H3,(H,22,25)/t18-,19-/m0/s1

InChI Key

XEXSNFCHKUIDHG-OALUTQOASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.47

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

1.434

Distribution Coefficient, logD

-0.200

Water Solubility, LogSw

-2.07

Polar Surface Area

47.808

Acid Dissociation Constant (pKa)

14.80

Base Dissociation Constant (pKb)

9.02

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

S618-1064 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 S618-1064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S618-1064?
Check Price and Availability of S618-1064, 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 S618-1064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S618-1064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S618-1064
  • 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 S618-1064 available by request