2595-1182 Screening compound: N-benzyl-2-(4-bromo-3-methylphenoxy)-N-methylacetamide

2595-1182 Screening compound: N-benzyl-2-(4-bromo-3-methylphenoxy)-N-methylacetamide
2595-1182 Screening compound: N-benzyl-2-(4-bromo-3-methylphenoxy)-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2595-1182
N-benzyl-2-(4-bromo-3-methylphenoxy)-N-methylacetamide

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

2595-1182

Molecular Formula

C17H18BrNO2 (C17 H18 BrNO2)

Compound Name

N-benzyl-2-(4-bromo-3-methylphenoxy)-N-methylacetamide

IUPAC name

N-benzyl-2-(4-bromo-3-methylphenoxy)-N-methylacetamide

SMILES

Cc(cc(cc1)OCC(N(C)Cc2ccccc2)=O)c1Br

InChI

InChI=1S/C17H18BrNO2/c1-13-10-15(8-9-16(13)18)21-12-17(20)19(2)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3

InChI Key

RDPPTEVNUAEGLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01847836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.268

Distribution Coefficient, logD

4.268

Water Solubility, LogSw

-4.38

Polar Surface Area

23.361

Acid Dissociation Constant (pKa)

23.68

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

2595-1182 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2595-1182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2595-1182?
Check Price and Availability of 2595-1182, 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 2595-1182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2595-1182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2595-1182
  • 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 2595-1182 available by request