2279-5072 Screening compound: N-(3-acetylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide

2279-5072 Screening compound: N-(3-acetylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide
2279-5072 Screening compound: N-(3-acetylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2279-5072
N-(3-acetylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide

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

2279-5072

Molecular Formula

C17H16BrNO3 (C17 H16 BrNO3)

Compound Name

N-(3-acetylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide

IUPAC name

N-(3-acetylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide

SMILES

CC(c1cccc(NC(COc(ccc(C)c2)c2Br)=O)c1)=O

InChI

InChI=1S/C17H16BrNO3/c1-11-6-7-16(15(18)8-11)22-10-17(21)19-14-5-3-4-13(9-14)12(2)20/h3-9H,10H2,1-2H3,(H,19,21)

InChI Key

CHTTXBTYXBCKGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02331591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.815

Distribution Coefficient, logD

3.815

Water Solubility, LogSw

-3.93

Polar Surface Area

44.529

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

2279-5072 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2279-5072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2279-5072?
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What is the minimum amount of 2279-5072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2279-5072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2279-5072
  • 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 2279-5072 available by request