S761-0297 Screening compound: 1-[1-benzyl-2-(methoxymethyl)piperidine-3-carbonyl]-4-(3-methylphenyl)piperazine

S761-0297 Screening compound: 1-[1-benzyl-2-(methoxymethyl)piperidine-3-carbonyl]-4-(3-methylphenyl)piperazine
S761-0297 Screening compound: 1-[1-benzyl-2-(methoxymethyl)piperidine-3-carbonyl]-4-(3-methylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound S761-0297
1-[1-benzyl-2-(methoxymethyl)piperidine-3-carbonyl]-4-(3-methylphenyl)piperazine

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

S761-0297

Molecular Formula

C26H35N3O2 (C26 H35 N3 O2)

Compound Name

1-[1-benzyl-2-(methoxymethyl)piperidine-3-carbonyl]-4-(3-methylphenyl)piperazine

IUPAC name

1-[(2S3R)-1-benzyl-2-(methoxymethyl)piperidine-3-carbonyl]-4-(3-methylphenyl)piperazine

SMILES

Cc1cccc(N(CC2)CCN2C([C@@H]2[C@H](COC)N(Cc3ccccc3)CCC2)=O)c1

InChI

InChI=1S/C26H35N3O2/c1-21-8-6-11-23(18-21)27-14-16-28(17-15-27)26(30)24-12-7-13-29(25(24)20-31-2)19-22-9-4-3-5-10-22/h3-6,8-11,18,24-25H,7,12-17,19-20H2,1-2H3/t24-,25-/m0/s1

InChI Key

KWVHVTVVIFYHGW-DQEYMECFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.548

Distribution Coefficient, logD

3.273

Water Solubility, LogSw

-3.65

Polar Surface Area

31.939

Acid Dissociation Constant (pKa)

23.36

Base Dissociation Constant (pKb)

7.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S761-0297 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S761-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S761-0297?
Check Price and Availability of S761-0297, 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 S761-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S761-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S761-0297
  • 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 S761-0297 available by request