8004-6026 Screening compound: 4-{1-[4-(benzoyloxy)-3-methylphenyl]-2,2,2-trichloroethyl}-2-methylphenyl benzoate

8004-6026 Screening compound: 4-{1-[4-(benzoyloxy)-3-methylphenyl]-2,2,2-trichloroethyl}-2-methylphenyl benzoate
8004-6026 Screening compound: 4-{1-[4-(benzoyloxy)-3-methylphenyl]-2,2,2-trichloroethyl}-2-methylphenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-6026
4-{1-[4-(benzoyloxy)-3-methylphenyl]-2,2,2-trichloroethyl}-2-methylphenyl 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

8004-6026

Molecular Formula

C30H23Cl3O4 (C30 H23 Cl3 O4)

Compound Name

4-{1-[4-(benzoyloxy)-3-methylphenyl]-2,2,2-trichloroethyl}-2-methylphenyl benzoate

IUPAC name

4-{1-[4-(benzoyloxy)-3-methylphenyl]-222-trichloroethyl}-2-methylphenyl benzoate

SMILES

Cc(cc(C(C(Cl)(Cl)Cl)c(cc1)cc(C)c1OC(c1ccccc1)=O)cc1)c1OC(c1ccccc1)=O

InChI

InChI=1S/C30H23Cl3O4/c1-19-17-23(13-15-25(19)36-28(34)21-9-5-3-6-10-21)27(30(31,32)33)24-14-16-26(20(2)18-24)37-29(35)22-11-7-4-8-12-22/h3-18,27H,1-2H3

InChI Key

VKGHIVRGLJNBJU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.234

Distribution Coefficient, logD

8.234

Water Solubility, LogSw

-6.73

Polar Surface Area

40.896

Acid Dissociation Constant (pKa)

24.88

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 8004-6026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-6026?
Check Price and Availability of 8004-6026, 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 8004-6026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-6026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-6026
  • 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 8004-6026 available by request