S761-0268 Screening compound: 1-[1-benzyl-2-(methoxymethyl)piperidine-3-carbonyl]-4-methylpiperazine

S761-0268 Screening compound: 1-[1-benzyl-2-(methoxymethyl)piperidine-3-carbonyl]-4-methylpiperazine
S761-0268 Screening compound: 1-[1-benzyl-2-(methoxymethyl)piperidine-3-carbonyl]-4-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound S761-0268
1-[1-benzyl-2-(methoxymethyl)piperidine-3-carbonyl]-4-methylpiperazine

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

S761-0268

Molecular Formula

C20H31N3O2 (C20 H31 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(CC1)CCN1C([C@@H]1[C@H](COC)N(Cc2ccccc2)CCC1)=O

InChI

InChI=1S/C20H31N3O2/c1-21-11-13-22(14-12-21)20(24)18-9-6-10-23(19(18)16-25-2)15-17-7-4-3-5-8-17/h3-5,7-8,18-19H,6,9-16H2,1-2H3/t18-,19-/m0/s1

InChI Key

KTMCUBRFJKVBCM-OALUTQOASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.288

Distribution Coefficient, logD

0.940

Water Solubility, LogSw

-2.20

Polar Surface Area

32.155

Acid Dissociation Constant (pKa)

23.36

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.00

S761-0268 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with S761-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S761-0268?
Check Price and Availability of S761-0268, 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 S761-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S761-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S761-0268
  • 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 S761-0268 available by request