8019-0526 Screening compound: ethyl 4-(2H-1,3-benzodioxol-5-yloxy)-3-[2-(2,4-dichlorophenoxy)acetamido]benzoate

8019-0526 Screening compound: ethyl 4-(2H-1,3-benzodioxol-5-yloxy)-3-[2-(2,4-dichlorophenoxy)acetamido]benzoate
8019-0526 Screening compound: ethyl 4-(2H-1,3-benzodioxol-5-yloxy)-3-[2-(2,4-dichlorophenoxy)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0526
ethyl 4-(2H-1,3-benzodioxol-5-yloxy)-3-[2-(2,4-dichlorophenoxy)acetamido]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

8019-0526

Molecular Formula

C24H19Cl2NO7 (C24 H19 Cl2 NO7)

Compound Name

ethyl 4-(2H-1,3-benzodioxol-5-yloxy)-3-[2-(2,4-dichlorophenoxy)acetamido]benzoate

IUPAC name

ethyl 4-(2H-13-benzodioxol-5-yloxy)-3-[2-(24-dichlorophenoxy)acetamido]benzoate

SMILES

CCOC(c(cc1)cc(NC(COc(ccc(Cl)c2)c2Cl)=O)c1Oc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C24H19Cl2NO7/c1-2-30-24(29)14-3-6-20(34-16-5-8-21-22(11-16)33-13-32-21)18(9-14)27-23(28)12-31-19-7-4-15(25)10-17(19)26/h3-11H,2,12-13H2,1H3,(H,27,28)

InChI Key

GQIIQQMDUMRTIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.685

Distribution Coefficient, logD

5.685

Water Solubility, LogSw

-6.02

Polar Surface Area

74.708

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8019-0526 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-0526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0526?
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What is the minimum amount of 8019-0526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0526
  • 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 8019-0526 available by request