C430-0558 Screening compound: 3-(4-chlorophenoxy)-4-({[2-(4-ethoxyphenyl)ethyl]amino}methyl)-1-(2-methylphenyl)azetidin-2-one

C430-0558 Screening compound: 3-(4-chlorophenoxy)-4-({[2-(4-ethoxyphenyl)ethyl]amino}methyl)-1-(2-methylphenyl)azetidin-2-one
C430-0558 Screening compound: 3-(4-chlorophenoxy)-4-({[2-(4-ethoxyphenyl)ethyl]amino}methyl)-1-(2-methylphenyl)azetidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0558
3-(4-chlorophenoxy)-4-({[2-(4-ethoxyphenyl)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

C430-0558

Molecular Formula

C27H29ClN2O3 (C27 H29 ClN2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(CCNCC(C(C2=O)Oc(cc3)ccc3Cl)N2c2c(C)cccc2)cc1

InChI

InChI=1S/C27H29ClN2O3/c1-3-32-22-12-8-20(9-13-22)16-17-29-18-25-26(33-23-14-10-21(28)11-15-23)27(31)30(25)24-7-5-4-6-19(24)2/h4-15,25-26,29H,3,16-18H2,1-2H3

InChI Key

NIVZDCGLAFIDKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756582

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

464.99

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

4.717

Distribution Coefficient, logD

4.276

Water Solubility, LogSw

-4.68

Polar Surface Area

40.444

Acid Dissociation Constant (pKa)

20.39

Base Dissociation Constant (pKb)

7.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.60

C430-0558 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C430-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0558?
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What is the minimum amount of C430-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0558
  • 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 C430-0558 available by request