F383-0051 Screening compound: ethyl 3-{5-[(1,3-dioxo-octahydro-1H-isoindol-2-yl)methyl]-2-methylbenzenesulfonamido}benzoate

F383-0051 Screening compound: ethyl 3-{5-[(1,3-dioxo-octahydro-1H-isoindol-2-yl)methyl]-2-methylbenzenesulfonamido}benzoate
F383-0051 Screening compound: ethyl 3-{5-[(1,3-dioxo-octahydro-1H-isoindol-2-yl)methyl]-2-methylbenzenesulfonamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F383-0051
ethyl 3-{5-[(1,3-dioxo-octahydro-1H-isoindol-2-yl)methyl]-2-methylbenzenesulfonamido}benzoate

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

F383-0051

Molecular Formula

C25H28N2O6S (C25 H28 N2 O6 S)

Compound Name

ethyl 3-{5-[(1,3-dioxo-octahydro-1H-isoindol-2-yl)methyl]-2-methylbenzenesulfonamido}benzoate

IUPAC name

ethyl 3-{5-[(13-dioxo-octahydro-1H-isoindol-2-yl)methyl]-2-methylbenzenesulfonamido}benzoate

SMILES

CCOC(c1cccc(NS(c2c(C)ccc(CN(C(C3C4CCCC3)=O)C4=O)c2)(=O)=O)c1)=O

InChI

InChI=1S/C25H28N2O6S/c1-3-33-25(30)18-7-6-8-19(14-18)26-34(31,32)22-13-17(12-11-16(22)2)15-27-23(28)20-9-4-5-10-21(20)24(27)29/h6-8,11-14,20-21,26H,3-5,9-10,15H2,1-2H3

InChI Key

RVSURXHPDUNTQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14952372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.402

Distribution Coefficient, logD

4.163

Water Solubility, LogSw

-4.26

Polar Surface Area

91.087

Acid Dissociation Constant (pKa)

7.53

Base Dissociation Constant (pKb)

-6.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

F383-0051 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Neuropeptide S Library (2850 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Digestive system
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F383-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F383-0051?
Check Price and Availability of F383-0051, 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 F383-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F383-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F383-0051
  • 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 F383-0051 available by request