F383-0168 Screening compound: 2-[(4-METHYL-3-{[4-(PYRIMIDIN-2-YL)PIPERAZIN-1-YL]SULFONYL}PHENYL)METHYL]-OCTAHYDRO-1H-ISOINDOLE-1,3-DIONE

F383-0168 Screening compound: 2-[(4-METHYL-3-{[4-(PYRIMIDIN-2-YL)PIPERAZIN-1-YL]SULFONYL}PHENYL)METHYL]-OCTAHYDRO-1H-ISOINDOLE-1,3-DIONE
F383-0168 Screening compound: 2-[(4-METHYL-3-{[4-(PYRIMIDIN-2-YL)PIPERAZIN-1-YL]SULFONYL}PHENYL)METHYL]-OCTAHYDRO-1H-ISOINDOLE-1,3-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound F383-0168
2-[(4-METHYL-3-{[4-(PYRIMIDIN-2-YL)PIPERAZIN-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

F383-0168

Molecular Formula

C24H29N5O4S (C24 H29 N5 O4 S)

Compound Name

2-[(4-METHYL-3-{[4-(PYRIMIDIN-2-YL)PIPERAZIN-1-YL]SULFONYL}PHENYL)METHYL]-OCTAHYDRO-1H-ISOINDOLE-1,3-DIONE

IUPAC name

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

SMILES

Cc(ccc(CN(C(C1C2CCCC1)=O)C2=O)c1)c1S(N(CC1)CCN1c1ncccn1)(=O)=O

InChI

InChI=1S/C24H29N5O4S/c1-17-7-8-18(16-29-22(30)19-5-2-3-6-20(19)23(29)31)15-21(17)34(32,33)28-13-11-27(12-14-28)24-25-9-4-10-26-24/h4,7-10,15,19-20H,2-3,5-6,11-14,16H2,1H3

InChI Key

AUWMMSAGPYENQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27121979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.855

Distribution Coefficient, logD

2.855

Water Solubility, LogSw

-3.20

Polar Surface Area

83.017

Acid Dissociation Constant (pKa)

19.09

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

F383-0168 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F383-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F383-0168?
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What is the minimum amount of F383-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F383-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F383-0168
  • 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 F383-0168 available by request