C430-0551 Screening compound: 3-(4-chlorophenoxy)-4-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-1-(2-methylphenyl)azetidin-2-one

C430-0551 Screening compound: 3-(4-chlorophenoxy)-4-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-1-(2-methylphenyl)azetidin-2-one
C430-0551 Screening compound: 3-(4-chlorophenoxy)-4-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-1-(2-methylphenyl)azetidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0551
3-(4-chlorophenoxy)-4-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-1-(2-methylphenyl)azetidin-2-one

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

C430-0551

Molecular Formula

C25H29ClN2O2 (C25 H29 ClN2 O2)

Compound Name

3-(4-chlorophenoxy)-4-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-1-(2-methylphenyl)azetidin-2-one

IUPAC name

3-(4-chlorophenoxy)-4-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-1-(2-methylphenyl)azetidin-2-one

SMILES

Cc(cccc1)c1N(C(CNCCC1=CCCCC1)C1Oc(cc2)ccc2Cl)C1=O

InChI

InChI=1S/C25H29ClN2O2/c1-18-7-5-6-10-22(18)28-23(17-27-16-15-19-8-3-2-4-9-19)24(25(28)29)30-21-13-11-20(26)12-14-21/h5-8,10-14,23-24,27H,2-4,9,15-17H2,1H3

InChI Key

GHPXTZUZYMARJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756578

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

424.97

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.718

Distribution Coefficient, logD

4.504

Water Solubility, LogSw

-4.72

Polar Surface Area

33.512

Acid Dissociation Constant (pKa)

20.39

Base Dissociation Constant (pKb)

7.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

C430-0551 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C430-0551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0551?
Check Price and Availability of C430-0551, 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 C430-0551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0551
  • 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 C430-0551 available by request