F068-0158 Screening compound: 7-(2-methoxyethyl)-5-(2-methylphenyl)-8-(2-oxopropyl)hexahydro-2H-furo[2,3-c]pyrrolo[3,4-b]pyrrole-2,4,6-trione

F068-0158 Screening compound: 7-(2-methoxyethyl)-5-(2-methylphenyl)-8-(2-oxopropyl)hexahydro-2H-furo[2,3-c]pyrrolo[3,4-b]pyrrole-2,4,6-trione
F068-0158 Screening compound: 7-(2-methoxyethyl)-5-(2-methylphenyl)-8-(2-oxopropyl)hexahydro-2H-furo[2,3-c]pyrrolo[3,4-b]pyrrole-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound F068-0158
7-(2-methoxyethyl)-5-(2-methylphenyl)-8-(2-oxopropyl)hexahydro-2H-furo[2,3-c]pyrrolo[3,4-b]pyrrole-2,4,6-trione

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

F068-0158

Molecular Formula

C21H24N2O6 (C21 H24 N2 O6)

Compound Name

7-(2-methoxyethyl)-5-(2-methylphenyl)-8-(2-oxopropyl)hexahydro-2H-furo[2,3-c]pyrrolo[3,4-b]pyrrole-2,4,6-trione

IUPAC name

10-(2-methoxyethyl)-7-(2-methylphenyl)-11-(2-oxopropyl)-2-oxa-710-diazatricyclo[6.3.0.0^{15}]undecane-369-trione

SMILES

CC(CC(C(C(C1)C2=O)(C3N2c2c(C)cccc2)OC1=O)N(CCOC)C3=O)=O

InChI

InChI=1S/C21H24N2O6/c1-12-6-4-5-7-15(12)23-18-20(27)22(8-9-28-3)16(10-13(2)24)21(18)14(19(23)26)11-17(25)29-21/h4-7,14,16,18H,8-11H2,1-3H3

InChI Key

RJPIWDRUOAJJDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14939619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.43

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

0.531

Distribution Coefficient, logD

-0.890

Water Solubility, LogSw

-1.45

Polar Surface Area

74.524

Acid Dissociation Constant (pKa)

6.00

Base Dissociation Constant (pKb)

-8.48

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

52.40

F068-0158 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F068-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F068-0158?
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What is the minimum amount of F068-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F068-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F068-0158
  • 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 F068-0158 available by request