1491-0171 Screening compound: 3-methyl-N-[2,2,2-trichloro-1-(phenylsulfanyl)ethyl]benzamide

1491-0171 Screening compound: 3-methyl-N-[2,2,2-trichloro-1-(phenylsulfanyl)ethyl]benzamide
1491-0171 Screening compound: 3-methyl-N-[2,2,2-trichloro-1-(phenylsulfanyl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1491-0171
3-methyl-N-[2,2,2-trichloro-1-(phenylsulfanyl)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

1491-0171

Molecular Formula

C16H14Cl3NOS (C16 H14 Cl3 NOS)

Compound Name

3-methyl-N-[2,2,2-trichloro-1-(phenylsulfanyl)ethyl]benzamide

IUPAC name

3-methyl-N-[222-trichloro-1-(phenylsulfanyl)ethyl]benzamide

SMILES

Cc1cccc(C(NC(C(Cl)(Cl)Cl)Sc2ccccc2)=O)c1

InChI

InChI=1S/C16H14Cl3NOS/c1-11-6-5-7-12(10-11)14(21)20-15(16(17,18)19)22-13-8-3-2-4-9-13/h2-10,15H,1H3,(H,20,21)/t15-/m0/s1

InChI Key

ZCBNXXDTCFCSGI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00402070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.72

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.322

Distribution Coefficient, logD

4.531

Water Solubility, LogSw

-6.02

Polar Surface Area

23.557

Acid Dissociation Constant (pKa)

6.69

Base Dissociation Constant (pKb)

-11.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

1491-0171 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 1491-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1491-0171?
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What is the minimum amount of 1491-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1491-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1491-0171
  • 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 1491-0171 available by request