S430-0552 Screening compound: ethyl 4-{3-[3-(morpholine-4-carbonyl)phenoxy]azetidin-1-yl}piperidine-1-carboxylate

S430-0552 Screening compound: ethyl 4-{3-[3-(morpholine-4-carbonyl)phenoxy]azetidin-1-yl}piperidine-1-carboxylate
S430-0552 Screening compound: ethyl 4-{3-[3-(morpholine-4-carbonyl)phenoxy]azetidin-1-yl}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound S430-0552
ethyl 4-{3-[3-(morpholine-4-carbonyl)phenoxy]azetidin-1-yl}piperidine-1-carboxylate

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

S430-0552

Molecular Formula

C22H31N3O5 (C22 H31 N3 O5)

Compound Name

ethyl 4-{3-[3-(morpholine-4-carbonyl)phenoxy]azetidin-1-yl}piperidine-1-carboxylate

IUPAC name

ethyl 4-{3-[3-(morpholine-4-carbonyl)phenoxy]azetidin-1-yl}piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1N(C1)CC1Oc1cc(C(N2CCOCC2)=O)ccc1)=O

InChI

InChI=1S/C22H31N3O5/c1-2-29-22(27)24-8-6-18(7-9-24)25-15-20(16-25)30-19-5-3-4-17(14-19)21(26)23-10-12-28-13-11-23/h3-5,14,18,20H,2,6-13,15-16H2,1H3

InChI Key

HRQIYYILBDGSQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.448

Distribution Coefficient, logD

-2.021

Water Solubility, LogSw

-1.96

Polar Surface Area

57.320

Acid Dissociation Constant (pKa)

27.76

Base Dissociation Constant (pKb)

10.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

S430-0552 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Eccentric PPI Library (11937 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S430-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S430-0552?
Check Price and Availability of S430-0552, 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 S430-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S430-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S430-0552
  • 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 S430-0552 available by request