8004-2826 Screening compound: (1Z)-1-[(2-hydroxy-5-nitrophenyl)methylidene]-6-methyl-4-sulfanylidene-1H,3H,4H,5H-furo[3,4-c]pyridin-3-one

8004-2826 Screening compound: (1Z)-1-[(2-hydroxy-5-nitrophenyl)methylidene]-6-methyl-4-sulfanylidene-1H,3H,4H,5H-furo[3,4-c]pyridin-3-one
8004-2826 Screening compound: (1Z)-1-[(2-hydroxy-5-nitrophenyl)methylidene]-6-methyl-4-sulfanylidene-1H,3H,4H,5H-furo[3,4-c]pyridin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-2826
(1Z)-1-[(2-hydroxy-5-nitrophenyl)methylidene]-6-methyl-4-sulfanylidene-1H,3H,4H,5H-furo[3,4-c]pyridin-3-one

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

8004-2826

Molecular Formula

C15H10N2O5S (C15 H10 N2 O5 S)

Compound Name

(1Z)-1-[(2-hydroxy-5-nitrophenyl)methylidene]-6-methyl-4-sulfanylidene-1H,3H,4H,5H-furo[3,4-c]pyridin-3-one

IUPAC name

(1Z)-1-[(2-hydroxy-5-nitrophenyl)methylidene]-6-methyl-4-sulfanylidene-1H3H4H5H-furo[34-c]pyridin-3-one

SMILES

CC(N1)=CC(/C(/OC2=O)=C/c(cc(cc3)[N+]([O-])=O)c3O)=C2C1=S

InChI

InChI=1S/C15H10N2O5S/c1-7-4-10-12(22-15(19)13(10)14(23)16-7)6-8-5-9(17(20)21)2-3-11(8)18/h2-6,18H,1H3,(H,16,23)

InChI Key

LMHXNGPYNUKTPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00469024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.32

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.500

Distribution Coefficient, logD

-0.006

Water Solubility, LogSw

-2.92

Polar Surface Area

83.634

Acid Dissociation Constant (pKa)

4.90

Base Dissociation Constant (pKb)

-6.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8004-2826 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8004-2826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-2826?
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What is the minimum amount of 8004-2826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-2826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-2826
  • 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 8004-2826 available by request