S688-0063 Screening compound: 3-[4-(dimethylamino)-4-(2-methoxyethyl)piperidine-1-carbonyl]benzonitrile

S688-0063 Screening compound: 3-[4-(dimethylamino)-4-(2-methoxyethyl)piperidine-1-carbonyl]benzonitrile
S688-0063 Screening compound: 3-[4-(dimethylamino)-4-(2-methoxyethyl)piperidine-1-carbonyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S688-0063
3-[4-(dimethylamino)-4-(2-methoxyethyl)piperidine-1-carbonyl]benzonitrile

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

S688-0063

Molecular Formula

C18H25N3O2 (C18 H25 N3 O2)

Compound Name

3-[4-(dimethylamino)-4-(2-methoxyethyl)piperidine-1-carbonyl]benzonitrile

IUPAC name

3-[4-(dimethylamino)-4-(2-methoxyethyl)piperidine-1-carbonyl]benzonitrile

SMILES

CN(C)C(CCOC)(CC1)CCN1C(c1cc(C#N)ccc1)=O

InChI

InChI=1S/C18H25N3O2/c1-20(2)18(9-12-23-3)7-10-21(11-8-18)17(22)16-6-4-5-15(13-16)14-19/h4-6,13H,7-12H2,1-3H3

InChI Key

KTIGGOVKTVUAJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31987651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.205

Distribution Coefficient, logD

-1.651

Water Solubility, LogSw

-1.87

Polar Surface Area

44.679

Acid Dissociation Constant (pKa)

27.23

Base Dissociation Constant (pKb)

10.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

S688-0063 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Nuclear receptors
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S688-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S688-0063?
Check Price and Availability of S688-0063, 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 S688-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S688-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S688-0063
  • 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 S688-0063 available by request