4239-0055 Screening compound: N-(4-bromo-3-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide

4239-0055 Screening compound: N-(4-bromo-3-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide
4239-0055 Screening compound: N-(4-bromo-3-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4239-0055
N-(4-bromo-3-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide

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

4239-0055

Molecular Formula

C16H23BrN2O2 (C16 H23 BrN2 O2)

Compound Name

N-(4-bromo-3-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide

IUPAC name

N-(4-bromo-3-methylphenyl)-3-(26-dimethylmorpholin-4-yl)propanamide

SMILES

CC1OC(C)CN(CCC(Nc(cc2)cc(C)c2Br)=O)C1

InChI

InChI=1S/C16H23BrN2O2/c1-11-8-14(4-5-15(11)17)18-16(20)6-7-19-9-12(2)21-13(3)10-19/h4-5,8,12-13H,6-7,9-10H2,1-3H3,(H,18,20)

InChI Key

IIHAYSGNFIHOLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02815522

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

355.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.671

Distribution Coefficient, logD

2.645

Water Solubility, LogSw

-2.95

Polar Surface Area

34.031

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.30

4239-0055 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)

Dark Chemical Matter Library (18430 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 4239-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4239-0055?
Check Price and Availability of 4239-0055, 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 4239-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4239-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4239-0055
  • 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 4239-0055 available by request