1491-0721 Screening compound: N-(2,2,2-trichloro-1-phenoxyethyl)benzamide

1491-0721 Screening compound: N-(2,2,2-trichloro-1-phenoxyethyl)benzamide
1491-0721 Screening compound: N-(2,2,2-trichloro-1-phenoxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1491-0721
N-(2,2,2-trichloro-1-phenoxyethyl)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

1491-0721

Molecular Formula

C15H12Cl3NO2 (C15 H12 Cl3 NO2)

Compound Name

N-(2,2,2-trichloro-1-phenoxyethyl)benzamide

IUPAC name

N-(222-trichloro-1-phenoxyethyl)benzamide

SMILES

O=C(c1ccccc1)NC(C(Cl)(Cl)Cl)Oc1ccccc1

InChI

InChI=1S/C15H12Cl3NO2/c16-15(17,18)14(21-12-9-5-2-6-10-12)19-13(20)11-7-3-1-4-8-11/h1-10,14H,(H,19,20)/t14-/m0/s1

InChI Key

AMVWDBWXZAUHFB-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00195267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.62

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.307

Distribution Coefficient, logD

3.201

Water Solubility, LogSw

-4.57

Polar Surface Area

31.845

Acid Dissociation Constant (pKa)

6.33

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

1491-0721 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1491-0721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1491-0721?
Check Price and Availability of 1491-0721, 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 1491-0721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1491-0721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1491-0721
  • 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 1491-0721 available by request