D159-0891 Screening compound: 2-[(furan-2-yl)methyl]-6,8-dimethyl-1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

D159-0891 Screening compound: 2-[(furan-2-yl)methyl]-6,8-dimethyl-1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
D159-0891 Screening compound: 2-[(furan-2-yl)methyl]-6,8-dimethyl-1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D159-0891
2-[(furan-2-yl)methyl]-6,8-dimethyl-1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-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

D159-0891

Molecular Formula

C25H21NO4S (C25 H21 NO4 S)

Compound Name

2-[(furan-2-yl)methyl]-6,8-dimethyl-1-[4-(methylsulfanyl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

2-[(furan-2-yl)methyl]-68-dimethyl-1-[4-(methylsulfanyl)phenyl]-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

Cc(cc1C)cc(OC2=C3C(c(cc4)ccc4SC)N(Cc4ccco4)C2=O)c1C3=O

InChI

InChI=1S/C25H21NO4S/c1-14-11-15(2)20-19(12-14)30-24-21(23(20)27)22(16-6-8-18(31-3)9-7-16)26(25(24)28)13-17-5-4-10-29-17/h4-12,22H,13H2,1-3H3/t22-/m1/s1

InChI Key

IKORWCQXIZAGAD-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD07444225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.643

Distribution Coefficient, logD

5.643

Water Solubility, LogSw

-5.50

Polar Surface Area

44.482

Acid Dissociation Constant (pKa)

17.75

Base Dissociation Constant (pKb)

-7.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D159-0891 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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 D159-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D159-0891?
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What is the minimum amount of D159-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D159-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D159-0891
  • 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 D159-0891 available by request