SA59-0417 Screening compound: 3-(3,4-dimethylphenyl)-1-[2-(morpholin-4-yl)ethyl]-1-(oxan-4-yl)urea

SA59-0417 Screening compound: 3-(3,4-dimethylphenyl)-1-[2-(morpholin-4-yl)ethyl]-1-(oxan-4-yl)urea
SA59-0417 Screening compound: 3-(3,4-dimethylphenyl)-1-[2-(morpholin-4-yl)ethyl]-1-(oxan-4-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound SA59-0417
3-(3,4-dimethylphenyl)-1-[2-(morpholin-4-yl)ethyl]-1-(oxan-4-yl)urea

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

SA59-0417

Molecular Formula

C20H31N3O3 (C20 H31 N3 O3)

Compound Name

3-(3,4-dimethylphenyl)-1-[2-(morpholin-4-yl)ethyl]-1-(oxan-4-yl)urea

IUPAC name

3-(34-dimethylphenyl)-1-[2-(morpholin-4-yl)ethyl]-1-(oxan-4-yl)urea

SMILES

Cc(cc1)c(C)cc1NC(N(CCN1CCOCC1)C1CCOCC1)=O

InChI

InChI=1S/C20H31N3O3/c1-16-3-4-18(15-17(16)2)21-20(24)23(19-5-11-25-12-6-19)8-7-22-9-13-26-14-10-22/h3-4,15,19H,5-14H2,1-2H3,(H,21,24)

InChI Key

XGMSENKKZHUHCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32000158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.629

Distribution Coefficient, logD

2.041

Water Solubility, LogSw

-2.85

Polar Surface Area

44.021

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

SA59-0417 in Drug Discovery

Included in Screening Libraries

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

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Eye
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with SA59-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA59-0417?
Check Price and Availability of SA59-0417, 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 SA59-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA59-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA59-0417
  • 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 SA59-0417 available by request