5482-0035 Screening compound: 1'-{[4-(2-FLUOROPHENYL)PIPERAZIN-1-YL]METHYL}-4-METHYLSPIRO[1,3-DIOXANE-2,3'-INDOL]-2'(1'H)-ONE

5482-0035 Screening compound: 1'-{[4-(2-FLUOROPHENYL)PIPERAZIN-1-YL]METHYL}-4-METHYLSPIRO[1,3-DIOXANE-2,3'-INDOL]-2'(1'H)-ONE
5482-0035 Screening compound: 1'-{[4-(2-FLUOROPHENYL)PIPERAZIN-1-YL]METHYL}-4-METHYLSPIRO[1,3-DIOXANE-2,3'-INDOL]-2'(1'H)-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5482-0035
1'-{[4-(2-FLUOROPHENYL)PIPERAZIN-1-YL]METHYL}-4-METHYLSPIRO[1,3-DIOXANE-2,3'-INDOL]-2'(1'H)-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

5482-0035

Molecular Formula

C23H26FN3O3 (C23 H26 FN3 O3)

Compound Name

1'-{[4-(2-FLUOROPHENYL)PIPERAZIN-1-YL]METHYL}-4-METHYLSPIRO[1,3-DIOXANE-2,3'-INDOL]-2'(1'H)-ONE

IUPAC name

n/a

SMILES

CC1OC(c(cccc2)c2N2CN(CC3)CCN3c(cccc3)c3F)(C2=O)OCC1

InChI

InChI=1S/C23H26FN3O3/c1-17-10-15-29-23(30-17)18-6-2-4-8-20(18)27(22(23)28)16-25-11-13-26(14-12-25)21-9-5-3-7-19(21)24/h2-9,17H,10-16H2,1H3

InChI Key

LBQXLIVUYMIKEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.479

Distribution Coefficient, logD

2.931

Water Solubility, LogSw

-3.76

Polar Surface Area

39.791

Acid Dissociation Constant (pKa)

24.21

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

14.00

5482-0035 in Drug Discovery

Included in Screening Libraries

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 5482-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5482-0035?
Check Price and Availability of 5482-0035, 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 5482-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5482-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5482-0035
  • 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 5482-0035 available by request