2995-0533 Screening compound: 4-(5-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)benzene-1-sulfonamide

2995-0533 Screening compound: 4-(5-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)benzene-1-sulfonamide
2995-0533 Screening compound: 4-(5-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2995-0533
4-(5-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)benzene-1-sulfonamide

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

2995-0533

Molecular Formula

C15H16N2O4S (C15 H16 N2 O4 S)

Compound Name

4-(5-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)benzene-1-sulfonamide

IUPAC name

4-(5-methyl-13-dioxo-233a477a-hexahydro-1H-isoindol-2-yl)benzene-1-sulfonamide

SMILES

CC(CC1C(N2c(cc3)ccc3S(N)(=O)=O)=O)=CCC1C2=O

InChI

InChI=1S/C15H16N2O4S/c1-9-2-7-12-13(8-9)15(19)17(14(12)18)10-3-5-11(6-4-10)22(16,20)21/h2-6,12-13H,7-8H2,1H3,(H2,16,20,21)

InChI Key

DYZYJSFQXHECBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00402115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.907

Distribution Coefficient, logD

0.905

Water Solubility, LogSw

-2.43

Polar Surface Area

79.675

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

2995-0533 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 2995-0533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2995-0533?
Check Price and Availability of 2995-0533, 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 2995-0533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2995-0533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2995-0533
  • 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 2995-0533 available by request