0168-0335 Screening compound: methyl 2,4-dioxo-4-phenylbutanoate

0168-0335 Screening compound: methyl 2,4-dioxo-4-phenylbutanoate
0168-0335 Screening compound: methyl 2,4-dioxo-4-phenylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0168-0335
methyl 2,4-dioxo-4-phenylbutanoate

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

0168-0335

Molecular Formula

C11H10O4 (C11 H10 O4)

Compound Name

methyl 2,4-dioxo-4-phenylbutanoate

IUPAC name

methyl 24-dioxo-4-phenylbutanoate

SMILES

COC(C(CC(c1ccccc1)=O)=O)=O

InChI

InChI=1S/C11H10O4/c1-15-11(14)10(13)7-9(12)8-5-3-2-4-6-8/h2-6H,7H2,1H3

InChI Key

AQYAHPDSJAFBOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00225528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

206.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.915

Distribution Coefficient, logD

0.905

Water Solubility, LogSw

-1.42

Polar Surface Area

47.906

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

0168-0335 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0168-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0168-0335?
Check Price and Availability of 0168-0335, 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 0168-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0168-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0168-0335
  • 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 0168-0335 available by request