4164-0053 Screening compound: 2-(morpholin-4-yl)ethyl 4-hydroxybenzoate

4164-0053 Screening compound: 2-(morpholin-4-yl)ethyl 4-hydroxybenzoate
4164-0053 Screening compound: 2-(morpholin-4-yl)ethyl 4-hydroxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4164-0053
2-(morpholin-4-yl)ethyl 4-hydroxybenzoate

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

4164-0053

Molecular Formula

C13H17NO4 (C13 H17 NO4)

Compound Name

2-(morpholin-4-yl)ethyl 4-hydroxybenzoate

IUPAC name

2-(morpholin-4-yl)ethyl 4-hydroxybenzoate

SMILES

Oc(cc1)ccc1C(OCCN1CCOCC1)=O

InChI

InChI=1S/C13H17NO4/c15-12-3-1-11(2-4-12)13(16)18-10-7-14-5-8-17-9-6-14/h1-4,15H,5-10H2

InChI Key

AJSLXVBGYKJOJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00440740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.346

Distribution Coefficient, logD

1.302

Water Solubility, LogSw

-1.48

Polar Surface Area

50.523

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

5.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

4164-0053 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Structure:
  • Pool
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 4164-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4164-0053?
Check Price and Availability of 4164-0053, 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 4164-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4164-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4164-0053
  • 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 4164-0053 available by request