F383-0853 Screening compound: 2-({4-methoxy-3-[(4-phenylpiperazin-1-yl)sulfonyl]phenyl}methyl)-octahydro-1H-isoindole-1,3-dione

F383-0853 Screening compound: 2-({4-methoxy-3-[(4-phenylpiperazin-1-yl)sulfonyl]phenyl}methyl)-octahydro-1H-isoindole-1,3-dione
F383-0853 Screening compound: 2-({4-methoxy-3-[(4-phenylpiperazin-1-yl)sulfonyl]phenyl}methyl)-octahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F383-0853
2-({4-methoxy-3-[(4-phenylpiperazin-1-yl)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

F383-0853

Molecular Formula

C26H31N3O5S (C26 H31 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CN(C(C1C2CCCC1)=O)C2=O)c1)c1S(N(CC1)CCN1c1ccccc1)(=O)=O

InChI

InChI=1S/C26H31N3O5S/c1-34-23-12-11-19(18-29-25(30)21-9-5-6-10-22(21)26(29)31)17-24(23)35(32,33)28-15-13-27(14-16-28)20-7-3-2-4-8-20/h2-4,7-8,11-12,17,21-22H,5-6,9-10,13-16,18H2,1H3

InChI Key

PUUWZTSBTXSORU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14952458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.149

Distribution Coefficient, logD

3.149

Water Solubility, LogSw

-3.31

Polar Surface Area

72.285

Acid Dissociation Constant (pKa)

19.09

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.20

F383-0853 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 F383-0853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F383-0853?
Check Price and Availability of F383-0853, 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 F383-0853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F383-0853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F383-0853
  • 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 F383-0853 available by request