S618-0446 Screening compound: N-{[1-(3-cyanobenzoyl)-3-(dimethylamino)piperidin-4-yl]methyl}acetamide

S618-0446 Screening compound: N-{[1-(3-cyanobenzoyl)-3-(dimethylamino)piperidin-4-yl]methyl}acetamide
S618-0446 Screening compound: N-{[1-(3-cyanobenzoyl)-3-(dimethylamino)piperidin-4-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S618-0446
N-{[1-(3-cyanobenzoyl)-3-(dimethylamino)piperidin-4-yl]methyl}acetamide

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

S618-0446

Molecular Formula

C18H24N4O2 (C18 H24 N4 O2)

Compound Name

N-{[1-(3-cyanobenzoyl)-3-(dimethylamino)piperidin-4-yl]methyl}acetamide

IUPAC name

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

SMILES

CC(NC[C@H](CCN(C1)C(c2cc(C#N)ccc2)=O)[C@H]1N(C)C)=O

InChI

InChI=1S/C18H24N4O2/c1-13(23)20-11-16-7-8-22(12-17(16)21(2)3)18(24)15-6-4-5-14(9-15)10-19/h4-6,9,16-17H,7-8,11-12H2,1-3H3,(H,20,23)/t16-,17+/m1/s1

InChI Key

MZHQRHBWRMUEFT-SJORKVTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.138

Distribution Coefficient, logD

-0.975

Water Solubility, LogSw

-1.84

Polar Surface Area

60.371

Acid Dissociation Constant (pKa)

15.05

Base Dissociation Constant (pKb)

8.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S618-0446 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Antibacterial Compounds Library (13827 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S618-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S618-0446?
Check Price and Availability of S618-0446, 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 S618-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S618-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S618-0446
  • 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 S618-0446 available by request