S430-0216 Screening compound: N-(cyclopropylmethyl)-3-[(1-{[4-(trifluoromethoxy)phenyl]methyl}azetidin-3-yl)oxy]benzamide

S430-0216 Screening compound: N-(cyclopropylmethyl)-3-[(1-{[4-(trifluoromethoxy)phenyl]methyl}azetidin-3-yl)oxy]benzamide
S430-0216 Screening compound: N-(cyclopropylmethyl)-3-[(1-{[4-(trifluoromethoxy)phenyl]methyl}azetidin-3-yl)oxy]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S430-0216
N-(cyclopropylmethyl)-3-[(1-{[4-(trifluoromethoxy)phenyl]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

S430-0216

Molecular Formula

C22H23F3N2O3 (C22 H23 F3 N2 O3)

Compound Name

N-(cyclopropylmethyl)-3-[(1-{[4-(trifluoromethoxy)phenyl]methyl}azetidin-3-yl)oxy]benzamide

IUPAC name

N-(cyclopropylmethyl)-3-[(1-{[4-(trifluoromethoxy)phenyl]methyl}azetidin-3-yl)oxy]benzamide

SMILES

O=C(c1cccc(OC2CN(Cc(cc3)ccc3OC(F)(F)F)C2)c1)NCC1CC1

InChI

InChI=1S/C22H23F3N2O3/c23-22(24,25)30-18-8-6-16(7-9-18)12-27-13-20(14-27)29-19-3-1-2-17(10-19)21(28)26-11-15-4-5-15/h1-3,6-10,15,20H,4-5,11-14H2,(H,26,28)

InChI Key

YOCVFXUWDZRWBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.43

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

4.199

Distribution Coefficient, logD

2.790

Water Solubility, LogSw

-4.41

Polar Surface Area

41.304

Acid Dissociation Constant (pKa)

15.22

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

S430-0216 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S430-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S430-0216?
Check Price and Availability of S430-0216, 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 S430-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S430-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S430-0216
  • 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 S430-0216 available by request