S557-0027 Screening compound: 2-({1-[(2-chloro-4-fluorophenyl)methyl]azetidin-3-yl}oxy)-N-cyclopropylbenzamide

S557-0027 Screening compound: 2-({1-[(2-chloro-4-fluorophenyl)methyl]azetidin-3-yl}oxy)-N-cyclopropylbenzamide
S557-0027 Screening compound: 2-({1-[(2-chloro-4-fluorophenyl)methyl]azetidin-3-yl}oxy)-N-cyclopropylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S557-0027
2-({1-[(2-chloro-4-fluorophenyl)methyl]azetidin-3-yl}oxy)-N-cyclopropylbenzamide

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

S557-0027

Molecular Formula

C20H20ClFN2O2 (C20 H20 ClFN2 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cccc1)c1OC1CN(Cc(ccc(F)c2)c2Cl)C1)NC1CC1

InChI

InChI=1S/C20H20ClFN2O2/c21-18-9-14(22)6-5-13(18)10-24-11-16(12-24)26-19-4-2-1-3-17(19)20(25)23-15-7-8-15/h1-6,9,15-16H,7-8,10-12H2,(H,23,25)

InChI Key

ZZVCEJGNRYUWEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29010060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.831

Distribution Coefficient, logD

2.916

Water Solubility, LogSw

-4.35

Polar Surface Area

34.987

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

8.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

S557-0027 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

CNS MPO Library (28609 compounds)

CNS Targets (44014 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:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Nervous system
  • Nervous system
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
  • Ion Channels
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S557-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S557-0027?
Check Price and Availability of S557-0027, 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 S557-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S557-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S557-0027
  • 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 S557-0027 available by request