F383-0866 Screening compound: 2-{[4-methoxy-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)phenyl]methyl}-octahydro-1H-isoindole-1,3-dione

F383-0866 Screening compound: 2-{[4-methoxy-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)phenyl]methyl}-octahydro-1H-isoindole-1,3-dione
F383-0866 Screening compound: 2-{[4-methoxy-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)phenyl]methyl}-octahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F383-0866
2-{[4-methoxy-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)phenyl]methyl}-octahydro-1H-isoindole-1,3-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

F383-0866

Molecular Formula

C25H28N2O5S (C25 H28 N2 O5 S)

Compound Name

2-{[4-methoxy-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)phenyl]methyl}-octahydro-1H-isoindole-1,3-dione

IUPAC name

2-{[4-methoxy-3-(1234-tetrahydroisoquinoline-2-sulfonyl)phenyl]methyl}-octahydro-1H-isoindole-13-dione

SMILES

COc(ccc(CN(C(C1C2CCCC1)=O)C2=O)c1)c1S(N(CC1)Cc2c1cccc2)(=O)=O

InChI

InChI=1S/C25H28N2O5S/c1-32-22-11-10-17(15-27-24(28)20-8-4-5-9-21(20)25(27)29)14-23(22)33(30,31)26-13-12-18-6-2-3-7-19(18)16-26/h2-3,6-7,10-11,14,20-21H,4-5,8-9,12-13,15-16H2,1H3

InChI Key

VCJIWJMUGSPGAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14952460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.467

Distribution Coefficient, logD

3.467

Water Solubility, LogSw

-3.68

Polar Surface Area

68.687

Acid Dissociation Constant (pKa)

19.09

Base Dissociation Constant (pKb)

-5.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

F383-0866 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 F383-0866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F383-0866?
Check Price and Availability of F383-0866, 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 F383-0866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F383-0866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F383-0866
  • 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 F383-0866 available by request