C430-0547 Screening compound: 3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-({[3-(propan-2-yloxy)propyl]amino}methyl)azetidin-2-one

C430-0547 Screening compound: 3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-({[3-(propan-2-yloxy)propyl]amino}methyl)azetidin-2-one
C430-0547 Screening compound: 3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-({[3-(propan-2-yloxy)propyl]amino}methyl)azetidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0547
3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-({[3-(propan-2-yloxy)propyl]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

C430-0547

Molecular Formula

C23H29ClN2O3 (C23 H29 ClN2 O3)

Compound Name

3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-({[3-(propan-2-yloxy)propyl]amino}methyl)azetidin-2-one

IUPAC name

3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-({[3-(propan-2-yloxy)propyl]amino}methyl)azetidin-2-one

SMILES

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

InChI

InChI=1S/C23H29ClN2O3/c1-16(2)28-14-6-13-25-15-21-22(29-19-11-9-18(24)10-12-19)23(27)26(21)20-8-5-4-7-17(20)3/h4-5,7-12,16,21-22,25H,6,13-15H2,1-3H3

InChI Key

VFXKFIACFQZVQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756575

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

416.95

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

3.523

Distribution Coefficient, logD

2.773

Water Solubility, LogSw

-3.81

Polar Surface Area

40.793

Acid Dissociation Constant (pKa)

20.39

Base Dissociation Constant (pKb)

8.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.50

C430-0547 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C430-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0547?
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What is the minimum amount of C430-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0547
  • 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 C430-0547 available by request