8004-9268 Screening compound: 9-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

8004-9268 Screening compound: 9-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione
8004-9268 Screening compound: 9-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-9268
9-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-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

8004-9268

Molecular Formula

C24H27NO7 (C24 H27 NO7)

Compound Name

9-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

IUPAC name

9-(4-hydroxy-3-methoxy-5-nitrophenyl)-3366-tetramethyl-23456789-octahydro-1H-xanthene-18-dione

SMILES

CC(C)(C1)CC(OC(CC(C)(C)C2)=C(C3c(cc4OC)cc([N+]([O-])=O)c4O)C2=O)=C3C1=O

InChI

InChI=1S/C24H27NO7/c1-23(2)8-14(26)20-17(10-23)32-18-11-24(3,4)9-15(27)21(18)19(20)12-6-13(25(29)30)22(28)16(7-12)31-5/h6-7,19,28H,8-11H2,1-5H3

InChI Key

GGGGHYHIAAOWRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00469619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.674

Distribution Coefficient, logD

3.378

Water Solubility, LogSw

-4.13

Polar Surface Area

89.587

Acid Dissociation Constant (pKa)

7.41

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8004-9268 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8004-9268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-9268?
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What is the minimum amount of 8004-9268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-9268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-9268
  • 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 8004-9268 available by request