Y031-0066 Screening compound: ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-4-carboxylate

Y031-0066 Screening compound: ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-4-carboxylate
Y031-0066 Screening compound: ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0066
ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-4-carboxylate

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

Y031-0066

Molecular Formula

C16H19ClFNO3 (C16 H19 ClFNO3)

Compound Name

ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(Cc(c(F)ccc1)c1Cl)=O)=O

InChI

InChI=1S/C16H19ClFNO3/c1-2-22-16(21)11-6-8-19(9-7-11)15(20)10-12-13(17)4-3-5-14(12)18/h3-5,11H,2,6-10H2,1H3

InChI Key

YSSZCWYOIJUSDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05668528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.956

Distribution Coefficient, logD

2.956

Water Solubility, LogSw

-3.36

Polar Surface Area

37.113

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y031-0066 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with Y031-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0066?
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What is the minimum amount of Y031-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0066
  • 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 Y031-0066 available by request