5788-0834 Screening compound: N-{4-[(morpholin-4-yl)methyl]phenyl}-4-(propan-2-yl)benzamide

5788-0834 Screening compound: N-{4-[(morpholin-4-yl)methyl]phenyl}-4-(propan-2-yl)benzamide
5788-0834 Screening compound: N-{4-[(morpholin-4-yl)methyl]phenyl}-4-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5788-0834
N-{4-[(morpholin-4-yl)methyl]phenyl}-4-(propan-2-yl)benzamide

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

5788-0834

Molecular Formula

C21H26N2O2 (C21 H26 N2 O2)

Compound Name

N-{4-[(morpholin-4-yl)methyl]phenyl}-4-(propan-2-yl)benzamide

IUPAC name

N-{4-[(morpholin-4-yl)methyl]phenyl}-4-(propan-2-yl)benzamide

SMILES

CC(C)c(cc1)ccc1C(Nc1ccc(CN2CCOCC2)cc1)=O

InChI

InChI=1S/C21H26N2O2/c1-16(2)18-5-7-19(8-6-18)21(24)22-20-9-3-17(4-10-20)15-23-11-13-25-14-12-23/h3-10,16H,11-15H2,1-2H3,(H,22,24)

InChI Key

GWQPCKYDRCLZGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03929140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.45

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

3.701

Distribution Coefficient, logD

3.645

Water Solubility, LogSw

-3.88

Polar Surface Area

34.971

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

5788-0834 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

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

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5788-0834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5788-0834?
Check Price and Availability of 5788-0834, 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 5788-0834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5788-0834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5788-0834
  • 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 5788-0834 available by request