S430-0328 Screening compound: 2-chloro-3-({3-[3-(pyrrolidine-1-carbonyl)phenoxy]azetidin-1-yl}methyl)pyridine

S430-0328 Screening compound: 2-chloro-3-({3-[3-(pyrrolidine-1-carbonyl)phenoxy]azetidin-1-yl}methyl)pyridine
S430-0328 Screening compound: 2-chloro-3-({3-[3-(pyrrolidine-1-carbonyl)phenoxy]azetidin-1-yl}methyl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S430-0328
2-chloro-3-({3-[3-(pyrrolidine-1-carbonyl)phenoxy]azetidin-1-yl}methyl)pyridine

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

S430-0328

Molecular Formula

C20H22ClN3O2 (C20 H22 ClN3 O2)

Compound Name

2-chloro-3-({3-[3-(pyrrolidine-1-carbonyl)phenoxy]azetidin-1-yl}methyl)pyridine

IUPAC name

2-chloro-3-({3-[3-(pyrrolidine-1-carbonyl)phenoxy]azetidin-1-yl}methyl)pyridine

SMILES

O=C(c1cccc(OC2CN(Cc3cccnc3Cl)C2)c1)N1CCCC1

InChI

InChI=1S/C20H22ClN3O2/c21-19-16(6-4-8-22-19)12-23-13-18(14-23)26-17-7-3-5-15(11-17)20(25)24-9-1-2-10-24/h3-8,11,18H,1-2,9-10,12-14H2

InChI Key

CWHJMIBHCXWAJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.87

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

2.363

Distribution Coefficient, logD

1.776

Water Solubility, LogSw

-3.06

Polar Surface Area

37.130

Acid Dissociation Constant (pKa)

26.37

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

S430-0328 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S430-0328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S430-0328?
Check Price and Availability of S430-0328, 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 S430-0328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S430-0328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S430-0328
  • 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 S430-0328 available by request