1761-0161 Screening compound: N-[(2,4-dichlorophenyl)methyl]-2,2,2-trifluoro-N-(3-nitrophenyl)acetamide

1761-0161 Screening compound: N-[(2,4-dichlorophenyl)methyl]-2,2,2-trifluoro-N-(3-nitrophenyl)acetamide
1761-0161 Screening compound: N-[(2,4-dichlorophenyl)methyl]-2,2,2-trifluoro-N-(3-nitrophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1761-0161
N-[(2,4-dichlorophenyl)methyl]-2,2,2-trifluoro-N-(3-nitrophenyl)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

1761-0161

Molecular Formula

C15H9Cl2F3N2O3 (C15 H9 Cl2 F3 N2 O3)

Compound Name

N-[(2,4-dichlorophenyl)methyl]-2,2,2-trifluoro-N-(3-nitrophenyl)acetamide

IUPAC name

N-[(24-dichlorophenyl)methyl]-222-trifluoro-N-(3-nitrophenyl)acetamide

SMILES

[O-][N+](c1cccc(N(Cc(ccc(Cl)c2)c2Cl)C(C(F)(F)F)=O)c1)=O

InChI

InChI=1S/C15H9Cl2F3N2O3/c16-10-5-4-9(13(17)6-10)8-21(14(23)15(18,19)20)11-2-1-3-12(7-11)22(24)25/h1-7H,8H2

InChI Key

JCGABIZQANDYFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00374321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.15

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.099

Distribution Coefficient, logD

5.099

Water Solubility, LogSw

-5.57

Polar Surface Area

49.243

Acid Dissociation Constant (pKa)

27.29

Base Dissociation Constant (pKb)

-9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

1761-0161 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1761-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1761-0161?
Check Price and Availability of 1761-0161, 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 1761-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1761-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1761-0161
  • 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 1761-0161 available by request