C796-0448 Screening compound: ethyl 4-(4-ethylphenyl)-2,4-dioxobutanoate

C796-0448 Screening compound: ethyl 4-(4-ethylphenyl)-2,4-dioxobutanoate
C796-0448 Screening compound: ethyl 4-(4-ethylphenyl)-2,4-dioxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0448
ethyl 4-(4-ethylphenyl)-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

C796-0448

Molecular Formula

C14H16O4 (C14 H16 O4)

Compound Name

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

IUPAC name

ethyl 4-(4-ethylphenyl)-24-dioxobutanoate

SMILES

CCc(cc1)ccc1C(CC(C(OCC)=O)=O)=O

InChI

InChI=1S/C14H16O4/c1-3-10-5-7-11(8-6-10)12(15)9-13(16)14(17)18-4-2/h5-8H,3-4,9H2,1-2H3

InChI Key

SXHUDVZXCCWQGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11523439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.372

Distribution Coefficient, logD

2.362

Water Solubility, LogSw

-2.38

Polar Surface Area

47.486

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

C796-0448 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C796-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0448?
Check Price and Availability of C796-0448, 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 C796-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0448
  • 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 C796-0448 available by request