8016-6416 Screening compound: N~1~-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]-3-(trifluoromethyl)benzamide

8016-6416 Screening compound: N~1~-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]-3-(trifluoromethyl)benzamide
8016-6416 Screening compound: N~1~-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6416
N~1~-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]-3-(trifluoromethyl)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

8016-6416

Molecular Formula

C25H24F3NO3 (C25 H24 F3 NO3)

Compound Name

N~1~-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]-3-(trifluoromethyl)benzamide

IUPAC name

N-[2-(34-dimethoxyphenyl)-3-phenylpropyl]-3-(trifluoromethyl)benzamide

SMILES

COc(ccc(C(Cc1ccccc1)CNC(c1cccc(C(F)(F)F)c1)=O)c1)c1OC

InChI

InChI=1S/C25H24F3NO3/c1-31-22-12-11-18(15-23(22)32-2)20(13-17-7-4-3-5-8-17)16-29-24(30)19-9-6-10-21(14-19)25(26,27)28/h3-12,14-15,20H,13,16H2,1-2H3,(H,29,30)/t20-/m0/s1

InChI Key

DGGJSYPMCVOZSZ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD05857986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.538

Distribution Coefficient, logD

5.538

Water Solubility, LogSw

-5.70

Polar Surface Area

39.641

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

-3.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

8016-6416 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8016-6416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6416?
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What is the minimum amount of 8016-6416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6416
  • 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 8016-6416 available by request