S557-0131 Screening compound: 4-[2-({1-[(2-chloro-4-fluorophenyl)methyl]azetidin-3-yl}oxy)benzoyl]morpholine

S557-0131 Screening compound: 4-[2-({1-[(2-chloro-4-fluorophenyl)methyl]azetidin-3-yl}oxy)benzoyl]morpholine
S557-0131 Screening compound: 4-[2-({1-[(2-chloro-4-fluorophenyl)methyl]azetidin-3-yl}oxy)benzoyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound S557-0131
4-[2-({1-[(2-chloro-4-fluorophenyl)methyl]azetidin-3-yl}oxy)benzoyl]morpholine

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

S557-0131

Molecular Formula

C21H22ClFN2O3 (C21 H22 ClFN2 O3)

Compound Name

4-[2-({1-[(2-chloro-4-fluorophenyl)methyl]azetidin-3-yl}oxy)benzoyl]morpholine

IUPAC name

4-[2-({1-[(2-chloro-4-fluorophenyl)methyl]azetidin-3-yl}oxy)benzoyl]morpholine

SMILES

O=C(c(cccc1)c1OC1CN(Cc(ccc(F)c2)c2Cl)C1)N1CCOCC1

InChI

InChI=1S/C21H22ClFN2O3/c22-19-11-16(23)6-5-15(19)12-24-13-17(14-24)28-20-4-2-1-3-18(20)21(26)25-7-9-27-10-8-25/h1-6,11,17H,7-10,12-14H2

InChI Key

GYBXMPUEFKXVQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31961911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.87

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

2.891

Distribution Coefficient, logD

1.977

Water Solubility, LogSw

-3.63

Polar Surface Area

35.074

Acid Dissociation Constant (pKa)

28.28

Base Dissociation Constant (pKb)

8.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

S557-0131 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S557-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S557-0131?
Check Price and Availability of S557-0131, 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 S557-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S557-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S557-0131
  • 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 S557-0131 available by request