8006-7458 Screening compound: 9-[4-(benzyloxy)-3-methoxyphenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

8006-7458 Screening compound: 9-[4-(benzyloxy)-3-methoxyphenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
8006-7458 Screening compound: 9-[4-(benzyloxy)-3-methoxyphenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-7458
9-[4-(benzyloxy)-3-methoxyphenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-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

8006-7458

Molecular Formula

C31H34O5 (C31 H34 O5)

Compound Name

9-[4-(benzyloxy)-3-methoxyphenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

IUPAC name

9-[4-(benzyloxy)-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)c4OCc4ccccc4)C2=O)=C3C1=O

InChI

InChI=1S/C31H34O5/c1-30(2)14-21(32)28-25(16-30)36-26-17-31(3,4)15-22(33)29(26)27(28)20-11-12-23(24(13-20)34-5)35-18-19-9-7-6-8-10-19/h6-13,27H,14-18H2,1-5H3

InChI Key

JNDCVYXFABNBQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00809166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.61

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

5.279

Distribution Coefficient, logD

5.279

Water Solubility, LogSw

-5.40

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

41.94

8006-7458 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 8006-7458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-7458?
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What is the minimum amount of 8006-7458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-7458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-7458
  • 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 8006-7458 available by request