C430-0486 Screening compound: 3-(4-chlorophenoxy)-1-(4-ethoxyphenyl)-4-{[(4-ethoxyphenyl)amino]methyl}azetidin-2-one

C430-0486 Screening compound: 3-(4-chlorophenoxy)-1-(4-ethoxyphenyl)-4-{[(4-ethoxyphenyl)amino]methyl}azetidin-2-one
C430-0486 Screening compound: 3-(4-chlorophenoxy)-1-(4-ethoxyphenyl)-4-{[(4-ethoxyphenyl)amino]methyl}azetidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0486
3-(4-chlorophenoxy)-1-(4-ethoxyphenyl)-4-{[(4-ethoxyphenyl)amino]methyl}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

C430-0486

Molecular Formula

C26H27ClN2O4 (C26 H27 ClN2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NCC(C(C1=O)Oc(cc2)ccc2Cl)N1c(cc1)ccc1OCC

InChI

InChI=1S/C26H27ClN2O4/c1-3-31-21-13-7-19(8-14-21)28-17-24-25(33-23-11-5-18(27)6-12-23)26(30)29(24)20-9-15-22(16-10-20)32-4-2/h5-16,24-25,28H,3-4,17H2,1-2H3

InChI Key

YUSBHZGUVILNGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.370

Distribution Coefficient, logD

5.370

Water Solubility, LogSw

-5.87

Polar Surface Area

46.495

Acid Dissociation Constant (pKa)

19.30

Base Dissociation Constant (pKb)

6.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.90

C430-0486 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

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 C430-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0486?
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What is the minimum amount of C430-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0486
  • 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 C430-0486 available by request