S623-1272 Screening compound: 1-{3-[isobutyl(1-methyl-4-piperidyl)amino]-1-azetanyl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone

S623-1272 Screening compound: 1-{3-[isobutyl(1-methyl-4-piperidyl)amino]-1-azetanyl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
S623-1272 Screening compound: 1-{3-[isobutyl(1-methyl-4-piperidyl)amino]-1-azetanyl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S623-1272
1-{3-[isobutyl(1-methyl-4-piperidyl)amino]-1-azetanyl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-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

S623-1272

Molecular Formula

C22H39N5O (C22 H39 N5 O)

Compound Name

1-{3-[isobutyl(1-methyl-4-piperidyl)amino]-1-azetanyl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone

IUPAC name

1-{3-[(1-methylpiperidin-4-yl)(2-methylpropyl)amino]azetidin-1-yl}-3-(135-trimethyl-1H-pyrazol-4-yl)propan-1-one

SMILES

CC(C)CN(C(C1)CN1C(CCc1c(C)n(C)nc1C)=O)C1CCN(C)CC1

InChI

InChI=1S/C22H39N5O/c1-16(2)13-27(19-9-11-24(5)12-10-19)20-14-26(15-20)22(28)8-7-21-17(3)23-25(6)18(21)4/h16,19-20H,7-15H2,1-6H3

InChI Key

WFCJPCFACVRBMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29015500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.58

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

1.526

Distribution Coefficient, logD

-0.134

Water Solubility, LogSw

-1.43

Polar Surface Area

36.774

Acid Dissociation Constant (pKa)

22.19

Base Dissociation Constant (pKb)

9.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

81.82

S623-1272 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune 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
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S623-1272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S623-1272?
Check Price and Availability of S623-1272, 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 S623-1272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S623-1272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S623-1272
  • 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 S623-1272 available by request