C430-0535 Screening compound: 4-[(tert-butylamino)methyl]-3-(4-chlorophenoxy)-1-(2-methylphenyl)azetidin-2-one

C430-0535 Screening compound: 4-[(tert-butylamino)methyl]-3-(4-chlorophenoxy)-1-(2-methylphenyl)azetidin-2-one
C430-0535 Screening compound: 4-[(tert-butylamino)methyl]-3-(4-chlorophenoxy)-1-(2-methylphenyl)azetidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0535
4-[(tert-butylamino)methyl]-3-(4-chlorophenoxy)-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

C430-0535

Molecular Formula

C21H25ClN2O2 (C21 H25 ClN2 O2)

Compound Name

4-[(tert-butylamino)methyl]-3-(4-chlorophenoxy)-1-(2-methylphenyl)azetidin-2-one

IUPAC name

4-[(tert-butylamino)methyl]-3-(4-chlorophenoxy)-1-(2-methylphenyl)azetidin-2-one

SMILES

CC(C)(C)NCC(C(C1=O)Oc(cc2)ccc2Cl)N1c1c(C)cccc1

InChI

InChI=1S/C21H25ClN2O2/c1-14-7-5-6-8-17(14)24-18(13-23-21(2,3)4)19(20(24)25)26-16-11-9-15(22)10-12-16/h5-12,18-19,23H,13H2,1-4H3

InChI Key

RJMBNFLEYUTTOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.142

Distribution Coefficient, logD

2.694

Water Solubility, LogSw

-4.44

Polar Surface Area

32.365

Acid Dissociation Constant (pKa)

20.39

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

C430-0535 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C430-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0535?
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What is the minimum amount of C430-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0535
  • 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 C430-0535 available by request