2449-0113 Screening compound: 1-(3-benzoylimidazolidin-1-yl)-2-(morpholin-4-yl)ethan-1-one

2449-0113 Screening compound: 1-(3-benzoylimidazolidin-1-yl)-2-(morpholin-4-yl)ethan-1-one
2449-0113 Screening compound: 1-(3-benzoylimidazolidin-1-yl)-2-(morpholin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2449-0113
1-(3-benzoylimidazolidin-1-yl)-2-(morpholin-4-yl)ethan-1-one

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

2449-0113

Molecular Formula

C16H21N3O3 (C16 H21 N3 O3)

Compound Name

1-(3-benzoylimidazolidin-1-yl)-2-(morpholin-4-yl)ethan-1-one

IUPAC name

1-(3-benzoylimidazolidin-1-yl)-2-(morpholin-4-yl)ethan-1-one

SMILES

O=C(CN1CCOCC1)N(CC1)CN1C(c1ccccc1)=O

InChI

InChI=1S/C16H21N3O3/c20-15(12-17-8-10-22-11-9-17)18-6-7-19(13-18)16(21)14-4-2-1-3-5-14/h1-5H,6-13H2

InChI Key

WJJJIZBOOYQBDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00472916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.005

Distribution Coefficient, logD

-0.008

Water Solubility, LogSw

-1.39

Polar Surface Area

45.834

Acid Dissociation Constant (pKa)

24.18

Base Dissociation Constant (pKb)

5.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

2449-0113 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 2449-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2449-0113?
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What is the minimum amount of 2449-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2449-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2449-0113
  • 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 2449-0113 available by request