S557-0104 Screening compound: N-cyclopropyl-2-({1-[(4-ethoxyphenyl)methyl]azetidin-3-yl}oxy)benzamide

S557-0104 Screening compound: N-cyclopropyl-2-({1-[(4-ethoxyphenyl)methyl]azetidin-3-yl}oxy)benzamide
S557-0104 Screening compound: N-cyclopropyl-2-({1-[(4-ethoxyphenyl)methyl]azetidin-3-yl}oxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S557-0104
N-cyclopropyl-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

S557-0104

Molecular Formula

C22H26N2O3 (C22 H26 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(CN(C2)CC2Oc(cccc2)c2C(NC2CC2)=O)cc1

InChI

InChI=1S/C22H26N2O3/c1-2-26-18-11-7-16(8-12-18)13-24-14-19(15-24)27-21-6-4-3-5-20(21)22(25)23-17-9-10-17/h3-8,11-12,17,19H,2,9-10,13-15H2,1H3,(H,23,25)

InChI Key

QOGWOHOAIWXDMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29010049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.321

Distribution Coefficient, logD

1.761

Water Solubility, LogSw

-3.76

Polar Surface Area

42.110

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

S557-0104 in Drug Discovery

Included in Screening Libraries

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 S557-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S557-0104?
Check Price and Availability of S557-0104, 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 S557-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S557-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S557-0104
  • 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 S557-0104 available by request