1187-0796 Screening compound: 4-chloro-N-{2,2,2-trichloro-1-[(3-methylphenyl)amino]ethyl}benzamide

1187-0796 Screening compound: 4-chloro-N-{2,2,2-trichloro-1-[(3-methylphenyl)amino]ethyl}benzamide
1187-0796 Screening compound: 4-chloro-N-{2,2,2-trichloro-1-[(3-methylphenyl)amino]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1187-0796
4-chloro-N-{2,2,2-trichloro-1-[(3-methylphenyl)amino]ethyl}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

1187-0796

Molecular Formula

C16H14Cl4N2O (C16 H14 Cl4 N2 O)

Compound Name

4-chloro-N-{2,2,2-trichloro-1-[(3-methylphenyl)amino]ethyl}benzamide

IUPAC name

4-chloro-N-{222-trichloro-1-[(3-methylphenyl)amino]ethyl}benzamide

SMILES

Cc1cccc(NC(C(Cl)(Cl)Cl)NC(c(cc2)ccc2Cl)=O)c1

InChI

InChI=1S/C16H14Cl4N2O/c1-10-3-2-4-13(9-10)21-15(16(18,19)20)22-14(23)11-5-7-12(17)8-6-11/h2-9,15,21H,1H3,(H,22,23)/t15-/m1/s1

InChI Key

HTDHQXZCNXKOLG-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD00496705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.11

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.025

Distribution Coefficient, logD

4.159

Water Solubility, LogSw

-5.18

Polar Surface Area

33.450

Acid Dissociation Constant (pKa)

6.60

Base Dissociation Constant (pKb)

-3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

1187-0796 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1187-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1187-0796?
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What is the minimum amount of 1187-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1187-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1187-0796
  • 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 1187-0796 available by request