S722-1238 Screening compound: 3-METHOXY-1-[4-(4-{[(2-METHOXYETHYL)(METHYL)AMINO]METHYL}BENZYL)PIPERIDINO]-1-PROPANONE

S722-1238 Screening compound: 3-METHOXY-1-[4-(4-{[(2-METHOXYETHYL)(METHYL)AMINO]METHYL}BENZYL)PIPERIDINO]-1-PROPANONE
S722-1238 Screening compound: 3-METHOXY-1-[4-(4-{[(2-METHOXYETHYL)(METHYL)AMINO]METHYL}BENZYL)PIPERIDINO]-1-PROPANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S722-1238
3-METHOXY-1-[4-(4-{[(2-METHOXYETHYL)(METHYL)AMINO]METHYL}BENZYL)PIPERIDINO]-1-PROPANONE

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

S722-1238

Molecular Formula

C21H34N2O3 (C21 H34 N2 O3)

Compound Name

3-METHOXY-1-[4-(4-{[(2-METHOXYETHYL)(METHYL)AMINO]METHYL}BENZYL)PIPERIDINO]-1-PROPANONE

IUPAC name

3-methoxy-1-{4-[(4-{[(2-methoxyethyl)(methyl)amino]methyl}phenyl)methyl]piperidin-1-yl}propan-1-one

SMILES

CN(CCOC)Cc1ccc(CC(CC2)CCN2C(CCOC)=O)cc1

InChI

InChI=1S/C21H34N2O3/c1-22(13-15-26-3)17-20-6-4-18(5-7-20)16-19-8-11-23(12-9-19)21(24)10-14-25-2/h4-7,19H,8-17H2,1-3H3

InChI Key

LWLHIDWBWAUUIM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.902

Distribution Coefficient, logD

0.701

Water Solubility, LogSw

-2.27

Polar Surface Area

37.138

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

8.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

S722-1238 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S722-1238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S722-1238?
Check Price and Availability of S722-1238, 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 S722-1238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S722-1238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S722-1238
  • 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 S722-1238 available by request