S430-0425 Screening compound: 3-[(1-cycloheptylazetidin-3-yl)oxy]-N-(cyclopropylmethyl)benzamide

S430-0425 Screening compound: 3-[(1-cycloheptylazetidin-3-yl)oxy]-N-(cyclopropylmethyl)benzamide
S430-0425 Screening compound: 3-[(1-cycloheptylazetidin-3-yl)oxy]-N-(cyclopropylmethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S430-0425
3-[(1-cycloheptylazetidin-3-yl)oxy]-N-(cyclopropylmethyl)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

S430-0425

Molecular Formula

C21H30N2O2 (C21 H30 N2 O2)

Compound Name

3-[(1-cycloheptylazetidin-3-yl)oxy]-N-(cyclopropylmethyl)benzamide

IUPAC name

3-[(1-cycloheptylazetidin-3-yl)oxy]-N-(cyclopropylmethyl)benzamide

SMILES

O=C(c1cc(OC(C2)CN2C2CCCCCC2)ccc1)NCC1CC1

InChI

InChI=1S/C21H30N2O2/c24-21(22-13-16-10-11-16)17-6-5-9-19(12-17)25-20-14-23(15-20)18-7-3-1-2-4-8-18/h5-6,9,12,16,18,20H,1-4,7-8,10-11,13-15H2,(H,22,24)

InChI Key

NMCHZWDPPNVLFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28993595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.48

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

3.754

Distribution Coefficient, logD

1.226

Water Solubility, LogSw

-3.93

Polar Surface Area

35.251

Acid Dissociation Constant (pKa)

15.22

Base Dissociation Constant (pKb)

9.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

S430-0425 in Drug Discovery

Included in Screening Libraries

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

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

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 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
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S430-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S430-0425?
Check Price and Availability of S430-0425, 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 S430-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S430-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S430-0425
  • 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 S430-0425 available by request