S430-0453 Screening compound: 1-(2-methylpropyl)-4-{3-[3-(pyrrolidine-1-carbonyl)phenoxy]azetidin-1-yl}piperidine

S430-0453 Screening compound: 1-(2-methylpropyl)-4-{3-[3-(pyrrolidine-1-carbonyl)phenoxy]azetidin-1-yl}piperidine
S430-0453 Screening compound: 1-(2-methylpropyl)-4-{3-[3-(pyrrolidine-1-carbonyl)phenoxy]azetidin-1-yl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S430-0453
1-(2-methylpropyl)-4-{3-[3-(pyrrolidine-1-carbonyl)phenoxy]azetidin-1-yl}piperidine

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

S430-0453

Molecular Formula

C23H35N3O2 (C23 H35 N3 O2)

Compound Name

1-(2-methylpropyl)-4-{3-[3-(pyrrolidine-1-carbonyl)phenoxy]azetidin-1-yl}piperidine

IUPAC name

1-(2-methylpropyl)-4-{3-[3-(pyrrolidine-1-carbonyl)phenoxy]azetidin-1-yl}piperidine

SMILES

CC(C)CN(CC1)CCC1N(C1)CC1Oc1cccc(C(N2CCCC2)=O)c1

InChI

InChI=1S/C23H35N3O2/c1-18(2)15-24-12-8-20(9-13-24)26-16-22(17-26)28-21-7-5-6-19(14-21)23(27)25-10-3-4-11-25/h5-7,14,18,20,22H,3-4,8-13,15-17H2,1-2H3

InChI Key

FOFFFDRJSDPMGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.948

Distribution Coefficient, logD

0.673

Water Solubility, LogSw

-3.17

Polar Surface Area

30.810

Acid Dissociation Constant (pKa)

25.63

Base Dissociation Constant (pKb)

9.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.60

S430-0453 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

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

Therapeutical areas:
  • Nervous 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 S430-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S430-0453?
Check Price and Availability of S430-0453, 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 S430-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S430-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S430-0453
  • 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 S430-0453 available by request