8008-1279 Screening compound: 2-benzoyl-5-methoxyphenyl 4-(decyloxy)benzoate

8008-1279 Screening compound: 2-benzoyl-5-methoxyphenyl 4-(decyloxy)benzoate
8008-1279 Screening compound: 2-benzoyl-5-methoxyphenyl 4-(decyloxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-1279
2-benzoyl-5-methoxyphenyl 4-(decyloxy)benzoate

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

8008-1279

Molecular Formula

C31H36O5 (C31 H36 O5)

Compound Name

2-benzoyl-5-methoxyphenyl 4-(decyloxy)benzoate

IUPAC name

2-benzoyl-5-methoxyphenyl 4-(decyloxy)benzoate

SMILES

CCCCCCCCCCOc(cc1)ccc1C(Oc(cc(cc1)OC)c1C(c1ccccc1)=O)=O

InChI

InChI=1S/C31H36O5/c1-3-4-5-6-7-8-9-13-22-35-26-18-16-25(17-19-26)31(33)36-29-23-27(34-2)20-21-28(29)30(32)24-14-11-10-12-15-24/h10-12,14-21,23H,3-9,13,22H2,1-2H3

InChI Key

AYBWTSBSHGQGNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01239424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.849

Distribution Coefficient, logD

8.849

Water Solubility, LogSw

-5.85

Polar Surface Area

49.131

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.50

8008-1279 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 8008-1279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-1279?
Check Price and Availability of 8008-1279, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8008-1279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1279
  • 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 8008-1279 available by request