S650-6501 Screening compound: N,N-dimethyl-4-(3-{[2-(piperidine-1-carbonyl)phenoxy]methyl}piperidine-1-carbonyl)aniline

S650-6501 Screening compound: N,N-dimethyl-4-(3-{[2-(piperidine-1-carbonyl)phenoxy]methyl}piperidine-1-carbonyl)aniline
S650-6501 Screening compound: N,N-dimethyl-4-(3-{[2-(piperidine-1-carbonyl)phenoxy]methyl}piperidine-1-carbonyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound S650-6501
N,N-dimethyl-4-(3-{[2-(piperidine-1-carbonyl)phenoxy]methyl}piperidine-1-carbonyl)aniline

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

S650-6501

Molecular Formula

C27H35N3O3 (C27 H35 N3 O3)

Compound Name

N,N-dimethyl-4-(3-{[2-(piperidine-1-carbonyl)phenoxy]methyl}piperidine-1-carbonyl)aniline

IUPAC name

NN-dimethyl-4-(3-{[2-(piperidine-1-carbonyl)phenoxy]methyl}piperidine-1-carbonyl)aniline

SMILES

CN(C)c(cc1)ccc1C(N1CC(COc(cccc2)c2C(N2CCCCC2)=O)CCC1)=O

InChI

InChI=1S/C27H35N3O3/c1-28(2)23-14-12-22(13-15-23)26(31)30-18-8-9-21(19-30)20-33-25-11-5-4-10-24(25)27(32)29-16-6-3-7-17-29/h4-5,10-15,21H,3,6-9,16-20H2,1-2H3/t21-/m0/s1

InChI Key

JAEPAWFNUOXNFF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD29018580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.947

Distribution Coefficient, logD

3.947

Water Solubility, LogSw

-4.24

Polar Surface Area

43.587

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.15

S650-6501 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 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:
  • Nervous system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S650-6501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S650-6501?
Check Price and Availability of S650-6501, 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 S650-6501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S650-6501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S650-6501
  • 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 S650-6501 available by request