D176-0017 Screening compound: N'-[2-(3,4-dimethoxyphenyl)-2-(prop-2-en-1-yl)pent-4-en-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanediamide

D176-0017 Screening compound: N'-[2-(3,4-dimethoxyphenyl)-2-(prop-2-en-1-yl)pent-4-en-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanediamide
D176-0017 Screening compound: N'-[2-(3,4-dimethoxyphenyl)-2-(prop-2-en-1-yl)pent-4-en-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D176-0017
N'-[2-(3,4-dimethoxyphenyl)-2-(prop-2-en-1-yl)pent-4-en-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanediamide

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

D176-0017

Molecular Formula

C25H27F3N2O4 (C25 H27 F3 N2 O4)

Compound Name

N'-[2-(3,4-dimethoxyphenyl)-2-(prop-2-en-1-yl)pent-4-en-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanediamide

IUPAC name

N'-[2-(34-dimethoxyphenyl)-2-(prop-2-en-1-yl)pent-4-en-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanediamide

SMILES

COc(ccc(C(CC=C)(CC=C)CNC(C(Nc1cccc(C(F)(F)F)c1)=O)=O)c1)c1OC

InChI

InChI=1S/C25H27F3N2O4/c1-5-12-24(13-6-2,17-10-11-20(33-3)21(15-17)34-4)16-29-22(31)23(32)30-19-9-7-8-18(14-19)25(26,27)28/h5-11,14-15H,1-2,12-13,16H2,3-4H3,(H,29,31)(H,30,32)

InChI Key

XQZDTAJWWVOIRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.215

Distribution Coefficient, logD

3.442

Water Solubility, LogSw

-5.20

Polar Surface Area

63.275

Acid Dissociation Constant (pKa)

5.63

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with D176-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D176-0017?
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What is the minimum amount of D176-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D176-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D176-0017
  • 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 D176-0017 available by request