R052-2661 Screening compound: ethyl 2-chloro-2-phenylacetate

R052-2661 Screening compound: ethyl 2-chloro-2-phenylacetate
R052-2661 Screening compound: ethyl 2-chloro-2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-2661
ethyl 2-chloro-2-phenylacetate

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

R052-2661

Molecular Formula

C10H11ClO2 (C10 H11 ClO2)

Compound Name

ethyl 2-chloro-2-phenylacetate

IUPAC name

ethyl 2-chloro-2-phenylacetate

SMILES

CCOC(C(c1ccccc1)Cl)=O

InChI

InChI=1S/C10H11ClO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3/t9-/m1/s1

InChI Key

XXRLJXZVZZXDPP-SECBINFHSA-N

MDL Number (MFCD)

MFCD00013675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

198.65

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.896

Distribution Coefficient, logD

2.896

Water Solubility, LogSw

-2.91

Polar Surface Area

20.992

Acid Dissociation Constant (pKa)

17.70

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

R052-2661 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Agro:
  • Agro
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with R052-2661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-2661?
Check Price and Availability of R052-2661, 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 R052-2661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-2661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-2661
  • 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 R052-2661 available by request