C301-5608 Screening compound: 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)-1H-inden-1-one

C301-5608 Screening compound: 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)-1H-inden-1-one
C301-5608 Screening compound: 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)-1H-inden-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5608
3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)-1H-inden-1-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

C301-5608

Molecular Formula

C27H25ClN2O2 (C27 H25 ClN2 O2)

Compound Name

3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)-1H-inden-1-one

IUPAC name

3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)-1H-inden-1-one

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(c(cccc1)c1C1=O)=C1c(cc1)ccc1OC

InChI

InChI=1S/C27H25ClN2O2/c1-18-7-10-20(28)17-24(18)29-13-15-30(16-14-29)26-22-5-3-4-6-23(22)27(31)25(26)19-8-11-21(32-2)12-9-19/h3-12,17H,13-16H2,1-2H3

InChI Key

VHKUGPWOSWDIPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.96

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.532

Distribution Coefficient, logD

6.532

Water Solubility, LogSw

-6.18

Polar Surface Area

27.274

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C301-5608 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 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 C301-5608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5608?
Check Price and Availability of C301-5608, 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 C301-5608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5608
  • 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 C301-5608 available by request