8006-8244 Screening compound: 4-{1-[4-(benzoyloxy)-3-methylphenyl]-2,2-dichloroethenyl}-2-methylphenyl benzoate

8006-8244 Screening compound: 4-{1-[4-(benzoyloxy)-3-methylphenyl]-2,2-dichloroethenyl}-2-methylphenyl benzoate
8006-8244 Screening compound: 4-{1-[4-(benzoyloxy)-3-methylphenyl]-2,2-dichloroethenyl}-2-methylphenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8244
4-{1-[4-(benzoyloxy)-3-methylphenyl]-2,2-dichloroethenyl}-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

8006-8244

Molecular Formula

C30H22Cl2O4 (C30 H22 Cl2 O4)

Compound Name

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

IUPAC name

4-{1-[4-(benzoyloxy)-3-methylphenyl]-22-dichloroethenyl}-2-methylphenyl benzoate

SMILES

Cc(cc(cc1)C(c(cc2)cc(C)c2OC(c2ccccc2)=O)=C(Cl)Cl)c1OC(c1ccccc1)=O

InChI

InChI=1S/C30H22Cl2O4/c1-19-17-23(13-15-25(19)35-29(33)21-9-5-3-6-10-21)27(28(31)32)24-14-16-26(20(2)18-24)36-30(34)22-11-7-4-8-12-22/h3-18H,1-2H3

InChI Key

UQEISNCIPVYQLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00635086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.953

Distribution Coefficient, logD

7.953

Water Solubility, LogSw

-6.54

Polar Surface Area

40.896

Acid Dissociation Constant (pKa)

28.02

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8006-8244 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8006-8244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8244?
Check Price and Availability of 8006-8244, 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 8006-8244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8244
  • 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 8006-8244 available by request