1496-1008 Screening compound: 3,3,6,6-tetramethyl-9-phenyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

1496-1008 Screening compound: 3,3,6,6-tetramethyl-9-phenyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione
1496-1008 Screening compound: 3,3,6,6-tetramethyl-9-phenyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1496-1008
3,3,6,6-tetramethyl-9-phenyl-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

1496-1008

Molecular Formula

C23H26O3 (C23 H26 O3)

Compound Name

3,3,6,6-tetramethyl-9-phenyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

IUPAC name

3366-tetramethyl-9-phenyl-23456789-octahydro-1H-xanthene-18-dione

SMILES

CC(C)(C1)CC(OC(CC(C)(C)C2)=C(C3c4ccccc4)C2=O)=C3C1=O

InChI

InChI=1S/C23H26O3/c1-22(2)10-15(24)20-17(12-22)26-18-13-23(3,4)11-16(25)21(18)19(20)14-8-6-5-7-9-14/h5-9,19H,10-13H2,1-4H3

InChI Key

XAOSWMJJLWRIBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00368696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.088

Distribution Coefficient, logD

4.088

Water Solubility, LogSw

-4.47

Polar Surface Area

33.397

Acid Dissociation Constant (pKa)

25.12

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

1496-1008 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1496-1008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1496-1008?
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What is the minimum amount of 1496-1008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1496-1008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1496-1008
  • 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 1496-1008 available by request