8019-8626 Screening compound: ethyl 4-(4-chlorophenyl)-2,4-dioxobutanoate

8019-8626 Screening compound: ethyl 4-(4-chlorophenyl)-2,4-dioxobutanoate
8019-8626 Screening compound: ethyl 4-(4-chlorophenyl)-2,4-dioxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8626
ethyl 4-(4-chlorophenyl)-2,4-dioxobutanoate

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

8019-8626

Molecular Formula

C12H11ClO4 (C12 H11 ClO4)

Compound Name

ethyl 4-(4-chlorophenyl)-2,4-dioxobutanoate

IUPAC name

ethyl 4-(4-chlorophenyl)-24-dioxobutanoate

SMILES

CCOC(C(CC(c(cc1)ccc1Cl)=O)=O)=O

InChI

InChI=1S/C12H11ClO4/c1-2-17-12(16)11(15)7-10(14)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3

InChI Key

BDFNRYGGOPNIAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01935972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.036

Distribution Coefficient, logD

2.013

Water Solubility, LogSw

-2.63

Polar Surface Area

47.486

Acid Dissociation Constant (pKa)

8.65

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8019-8626 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-8626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8626?
Check Price and Availability of 8019-8626, 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 8019-8626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8626
  • 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 8019-8626 available by request