R022-0017 Screening compound: 4-(benzyloxy)-4-oxobutanoic acid

R022-0017 Screening compound: 4-(benzyloxy)-4-oxobutanoic acid
R022-0017 Screening compound: 4-(benzyloxy)-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R022-0017
4-(benzyloxy)-4-oxobutanoic acid

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

R022-0017

Molecular Formula

C11H12O4 (C11 H12 O4)

Compound Name

4-(benzyloxy)-4-oxobutanoic acid

IUPAC name

4-(benzyloxy)-4-oxobutanoic acid

SMILES

OC(CCC(OCc1ccccc1)=O)=O

InChI

InChI=1S/C11H12O4/c12-10(13)6-7-11(14)15-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)

InChI Key

UGUBQKZSNQWWEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00447717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

208.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.548

Distribution Coefficient, logD

-1.722

Water Solubility, LogSw

-1.11

Polar Surface Area

49.156

Acid Dissociation Constant (pKa)

4.13

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

R022-0017 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Structure:
  • Pool
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with R022-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R022-0017?
Check Price and Availability of R022-0017, 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 R022-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R022-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R022-0017
  • 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 R022-0017 available by request