Y031-0055 Screening compound: 2-(2-chloro-6-fluorophenyl)-N-[2-(morpholin-4-yl)ethyl]acetamide

Y031-0055 Screening compound: 2-(2-chloro-6-fluorophenyl)-N-[2-(morpholin-4-yl)ethyl]acetamide
Y031-0055 Screening compound: 2-(2-chloro-6-fluorophenyl)-N-[2-(morpholin-4-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0055
2-(2-chloro-6-fluorophenyl)-N-[2-(morpholin-4-yl)ethyl]acetamide

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

Y031-0055

Molecular Formula

C14H18ClFN2O2 (C14 H18 ClFN2 O2)

Compound Name

2-(2-chloro-6-fluorophenyl)-N-[2-(morpholin-4-yl)ethyl]acetamide

IUPAC name

2-(2-chloro-6-fluorophenyl)-N-[2-(morpholin-4-yl)ethyl]acetamide

SMILES

O=C(Cc(c(F)ccc1)c1Cl)NCCN1CCOCC1

InChI

InChI=1S/C14H18ClFN2O2/c15-12-2-1-3-13(16)11(12)10-14(19)17-4-5-18-6-8-20-9-7-18/h1-3H,4-10H2,(H,17,19)

InChI Key

BFXLDZOHXULEJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05668527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.293

Distribution Coefficient, logD

1.205

Water Solubility, LogSw

-2.47

Polar Surface Area

36.171

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

6.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y031-0055 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with Y031-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0055?
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What is the minimum amount of Y031-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0055
  • 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 Y031-0055 available by request