C202-3598 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylphenyl)piperidine-2,6-dione

C202-3598 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylphenyl)piperidine-2,6-dione
C202-3598 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylphenyl)piperidine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3598
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylphenyl)piperidine-2,6-dione

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

C202-3598

Molecular Formula

C20H19NO4 (C20 H19 NO4)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylphenyl)piperidine-2,6-dione

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-(4-methylphenyl)piperidine-26-dione

SMILES

Cc1ccc(C(CC(N2Cc(cc3)cc4c3OCO4)=O)CC2=O)cc1

InChI

InChI=1S/C20H19NO4/c1-13-2-5-15(6-3-13)16-9-19(22)21(20(23)10-16)11-14-4-7-17-18(8-14)25-12-24-17/h2-8,16H,9-12H2,1H3

InChI Key

JTLXCGCQVRFKMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14731695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.295

Distribution Coefficient, logD

3.295

Water Solubility, LogSw

-3.11

Polar Surface Area

46.796

Acid Dissociation Constant (pKa)

17.72

Base Dissociation Constant (pKb)

-4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C202-3598 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Lipid Metabolism Library (9174 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cardiovascular
  • Metabolic
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C202-3598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3598?
Check Price and Availability of C202-3598, 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 C202-3598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3598
  • 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 C202-3598 available by request