S557-0270 Screening compound: N-benzyl-2-({1-[(4-ethoxyphenyl)methyl]azetidin-3-yl}oxy)benzamide

S557-0270 Screening compound: N-benzyl-2-({1-[(4-ethoxyphenyl)methyl]azetidin-3-yl}oxy)benzamide
S557-0270 Screening compound: N-benzyl-2-({1-[(4-ethoxyphenyl)methyl]azetidin-3-yl}oxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S557-0270
N-benzyl-2-({1-[(4-ethoxyphenyl)methyl]azetidin-3-yl}oxy)benzamide

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

S557-0270

Molecular Formula

C26H28N2O3 (C26 H28 N2 O3)

Compound Name

N-benzyl-2-({1-[(4-ethoxyphenyl)methyl]azetidin-3-yl}oxy)benzamide

IUPAC name

N-benzyl-2-({1-[(4-ethoxyphenyl)methyl]azetidin-3-yl}oxy)benzamide

SMILES

CCOc1ccc(CN(C2)CC2Oc(cccc2)c2C(NCc2ccccc2)=O)cc1

InChI

InChI=1S/C26H28N2O3/c1-2-30-22-14-12-21(13-15-22)17-28-18-23(19-28)31-25-11-7-6-10-24(25)26(29)27-16-20-8-4-3-5-9-20/h3-15,23H,2,16-19H2,1H3,(H,27,29)

InChI Key

OFCKNUMGMXGMOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31990084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.365

Distribution Coefficient, logD

2.805

Water Solubility, LogSw

-4.26

Polar Surface Area

42.054

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.92

S557-0270 in Drug Discovery

Included in Screening Libraries

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:
  • Nervous system
  • 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 S557-0270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S557-0270?
Check Price and Availability of S557-0270, 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 S557-0270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S557-0270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S557-0270
  • 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 S557-0270 available by request