F383-0077 Screening compound: 5-[(1,3-dioxo-octahydro-1H-isoindol-2-yl)methyl]-2-methyl-N-(4-sulfamoylphenyl)benzene-1-sulfonamide

F383-0077 Screening compound: 5-[(1,3-dioxo-octahydro-1H-isoindol-2-yl)methyl]-2-methyl-N-(4-sulfamoylphenyl)benzene-1-sulfonamide
F383-0077 Screening compound: 5-[(1,3-dioxo-octahydro-1H-isoindol-2-yl)methyl]-2-methyl-N-(4-sulfamoylphenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F383-0077
5-[(1,3-dioxo-octahydro-1H-isoindol-2-yl)methyl]-2-methyl-N-(4-sulfamoylphenyl)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

F383-0077

Molecular Formula

C22H25N3O6S2 (C22 H25 N3 O6 S2)

Compound Name

5-[(1,3-dioxo-octahydro-1H-isoindol-2-yl)methyl]-2-methyl-N-(4-sulfamoylphenyl)benzene-1-sulfonamide

IUPAC name

5-[(13-dioxo-octahydro-1H-isoindol-2-yl)methyl]-2-methyl-N-(4-sulfamoylphenyl)benzene-1-sulfonamide

SMILES

Cc(ccc(CN(C(C1C2CCCC1)=O)C2=O)c1)c1S(Nc(cc1)ccc1S(N)(=O)=O)(=O)=O

InChI

InChI=1S/C22H25N3O6S2/c1-14-6-7-15(13-25-21(26)18-4-2-3-5-19(18)22(25)27)12-20(14)33(30,31)24-16-8-10-17(11-9-16)32(23,28)29/h6-12,18-19,24H,2-5,13H2,1H3,(H2,23,28,29)

InChI Key

BNQCOBJJFITRKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27121964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.59

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.014

Distribution Coefficient, logD

0.271

Water Solubility, LogSw

-2.96

Polar Surface Area

120.936

Acid Dissociation Constant (pKa)

5.67

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

F383-0077 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with F383-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F383-0077?
Check Price and Availability of F383-0077, 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 F383-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F383-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F383-0077
  • 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 F383-0077 available by request