6232-2960 Screening compound: 1'-[(4-benzylpiperazin-1-yl)methyl]-5-methyl-5-phenyl-1',2'-dihydrospiro[1,3-dioxane-2,3'-indol]-2'-one

6232-2960 Screening compound: 1'-[(4-benzylpiperazin-1-yl)methyl]-5-methyl-5-phenyl-1',2'-dihydrospiro[1,3-dioxane-2,3'-indol]-2'-one
6232-2960 Screening compound: 1'-[(4-benzylpiperazin-1-yl)methyl]-5-methyl-5-phenyl-1',2'-dihydrospiro[1,3-dioxane-2,3'-indol]-2'-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6232-2960
1'-[(4-benzylpiperazin-1-yl)methyl]-5-methyl-5-phenyl-1',2'-dihydrospiro[1,3-dioxane-2,3'-indol]-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

6232-2960

Molecular Formula

C30H33N3O3 (C30 H33 N3 O3)

Compound Name

1'-[(4-benzylpiperazin-1-yl)methyl]-5-methyl-5-phenyl-1',2'-dihydrospiro[1,3-dioxane-2,3'-indol]-2'-one

IUPAC name

1'-[(4-benzylpiperazin-1-yl)methyl]-5-methyl-5-phenyl-1'2'-dihydrospiro[13-dioxane-23'-indol]-2'-one

SMILES

CC1(COC(c(cccc2)c2N2CN3CCN(Cc4ccccc4)CC3)(C2=O)OC1)c1ccccc1

InChI

InChI=1S/C30H33N3O3/c1-29(25-12-6-3-7-13-25)21-35-30(36-22-29)26-14-8-9-15-27(26)33(28(30)34)23-32-18-16-31(17-19-32)20-24-10-4-2-5-11-24/h2-15H,16-23H2,1H3

InChI Key

CYXRQBBXGFVPHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02039645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.752

Distribution Coefficient, logD

3.624

Water Solubility, LogSw

-4.51

Polar Surface Area

41.933

Acid Dissociation Constant (pKa)

26.07

Base Dissociation Constant (pKb)

8.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.70

6232-2960 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6232-2960 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6232-2960?
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What is the minimum amount of 6232-2960 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6232-2960
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6232-2960
  • 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 6232-2960 available by request