8006-2662 Screening compound: 9-{4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl}-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

8006-2662 Screening compound: 9-{4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl}-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione
8006-2662 Screening compound: 9-{4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl}-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 8006-2662
9-{4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl}-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

8006-2662

Molecular Formula

C31H32Cl2O5 (C31 H32 Cl2 O5)

Compound Name

9-{4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl}-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

IUPAC name

9-{4-[(24-dichlorophenyl)methoxy]-3-methoxyphenyl}-3366-tetramethyl-23456789-octahydro-1H-xanthene-18-dione

SMILES

CC(C)(C1)CC(OC(CC(C)(C)C2)=C(C3c(cc4)cc(OC)c4OCc(ccc(Cl)c4)c4Cl)C2=O)=C3C1=O

InChI

InChI=1S/C31H32Cl2O5/c1-30(2)12-21(34)28-25(14-30)38-26-15-31(3,4)13-22(35)29(26)27(28)17-7-9-23(24(10-17)36-5)37-16-18-6-8-19(32)11-20(18)33/h6-11,27H,12-16H2,1-5H3

InChI Key

AYZXICUOOZLBSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.504

Distribution Coefficient, logD

6.504

Water Solubility, LogSw

-6.38

Polar Surface Area

48.342

Acid Dissociation Constant (pKa)

25.12

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

References: we are preparing a list of scientific research reports with 8006-2662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2662?
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What is the minimum amount of 8006-2662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2662
  • 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 8006-2662 available by request