F383-0835 Screening compound: ethyl 1-{5-[(1,3-dioxo-octahydro-1H-isoindol-2-yl)methyl]-2-methoxybenzenesulfonyl}piperidine-4-carboxylate

F383-0835 Screening compound: ethyl 1-{5-[(1,3-dioxo-octahydro-1H-isoindol-2-yl)methyl]-2-methoxybenzenesulfonyl}piperidine-4-carboxylate
F383-0835 Screening compound: ethyl 1-{5-[(1,3-dioxo-octahydro-1H-isoindol-2-yl)methyl]-2-methoxybenzenesulfonyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F383-0835
ethyl 1-{5-[(1,3-dioxo-octahydro-1H-isoindol-2-yl)methyl]-2-methoxybenzenesulfonyl}piperidine-4-carboxylate

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

F383-0835

Molecular Formula

C24H32N2O7S (C24 H32 N2 O7 S)

Compound Name

ethyl 1-{5-[(1,3-dioxo-octahydro-1H-isoindol-2-yl)methyl]-2-methoxybenzenesulfonyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{5-[(13-dioxo-octahydro-1H-isoindol-2-yl)methyl]-2-methoxybenzenesulfonyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1S(c(cc(CN(C(C1C2CCCC1)=O)C2=O)cc1)c1OC)(=O)=O)=O

InChI

InChI=1S/C24H32N2O7S/c1-3-33-24(29)17-10-12-25(13-11-17)34(30,31)21-14-16(8-9-20(21)32-2)15-26-22(27)18-6-4-5-7-19(18)23(26)28/h8-9,14,17-19H,3-7,10-13,15H2,1-2H3

InChI Key

MJFOBBJOOGAVEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27121991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.59

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.484

Distribution Coefficient, logD

2.484

Water Solubility, LogSw

-2.83

Polar Surface Area

89.779

Acid Dissociation Constant (pKa)

19.09

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

62.50

F383-0835 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 F383-0835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F383-0835?
Check Price and Availability of F383-0835, 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 F383-0835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F383-0835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F383-0835
  • 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 F383-0835 available by request