S623-1323 Screening compound: 3-[isobutyl(1-methyl-4-piperidyl)amino]-N~1~-phenethyl-1-azetanecarboxamide

S623-1323 Screening compound: 3-[isobutyl(1-methyl-4-piperidyl)amino]-N~1~-phenethyl-1-azetanecarboxamide
S623-1323 Screening compound: 3-[isobutyl(1-methyl-4-piperidyl)amino]-N~1~-phenethyl-1-azetanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S623-1323
3-[isobutyl(1-methyl-4-piperidyl)amino]-N~1~-phenethyl-1-azetanecarboxamide

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

S623-1323

Molecular Formula

C22H36N4O (C22 H36 N4 O)

Compound Name

3-[isobutyl(1-methyl-4-piperidyl)amino]-N~1~-phenethyl-1-azetanecarboxamide

IUPAC name

3-[(1-methylpiperidin-4-yl)(2-methylpropyl)amino]-N-(2-phenylethyl)azetidine-1-carboxamide

SMILES

CC(C)CN(C(C1)CN1C(NCCc1ccccc1)=O)C1CCN(C)CC1

InChI

InChI=1S/C22H36N4O/c1-18(2)15-26(20-10-13-24(3)14-11-20)21-16-25(17-21)22(27)23-12-9-19-7-5-4-6-8-19/h4-8,18,20-21H,9-17H2,1-3H3,(H,23,27)

InChI Key

BVCJVHCSPFQWSN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.039

Distribution Coefficient, logD

0.399

Water Solubility, LogSw

-3.33

Polar Surface Area

32.446

Acid Dissociation Constant (pKa)

15.44

Base Dissociation Constant (pKb)

10.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.18

S623-1323 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S623-1323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S623-1323?
Check Price and Availability of S623-1323, 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 S623-1323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S623-1323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S623-1323
  • 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 S623-1323 available by request