1309-1176 Screening compound: 3-chloro-N-{2,2,2-trichloro-1-[(4-methoxyphenyl)amino]ethyl}benzamide

1309-1176 Screening compound: 3-chloro-N-{2,2,2-trichloro-1-[(4-methoxyphenyl)amino]ethyl}benzamide
1309-1176 Screening compound: 3-chloro-N-{2,2,2-trichloro-1-[(4-methoxyphenyl)amino]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-1176
3-chloro-N-{2,2,2-trichloro-1-[(4-methoxyphenyl)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

1309-1176

Molecular Formula

C16H14Cl4N2O2 (C16 H14 Cl4 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1NC(C(Cl)(Cl)Cl)NC(c1cccc(Cl)c1)=O

InChI

InChI=1S/C16H14Cl4N2O2/c1-24-13-7-5-12(6-8-13)21-15(16(18,19)20)22-14(23)10-3-2-4-11(17)9-10/h2-9,15,21H,1H3,(H,22,23)/t15-/m1/s1

InChI Key

VURZNWRBJDMSSP-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD00628296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.11

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.836

Distribution Coefficient, logD

4.005

Water Solubility, LogSw

-4.96

Polar Surface Area

40.993

Acid Dissociation Constant (pKa)

6.64

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

1309-1176 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 1309-1176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-1176?
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What is the minimum amount of 1309-1176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-1176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-1176
  • 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 1309-1176 available by request