G500-0455 Screening compound: N-{2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl}-4-(trifluoromethyl)benzamide

G500-0455 Screening compound: N-{2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl}-4-(trifluoromethyl)benzamide
G500-0455 Screening compound: N-{2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl}-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G500-0455
N-{2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl}-4-(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

G500-0455

Molecular Formula

C23H29F3N4O (C23 H29 F3 N4 O)

Compound Name

N-{2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl}-4-(trifluoromethyl)benzamide

IUPAC name

N-{2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl}-4-(trifluoromethyl)benzamide

SMILES

CN(C)c1ccc(C(CNC(c2ccc(C(F)(F)F)cc2)=O)N2CCN(C)CC2)cc1

InChI

InChI=1S/C23H29F3N4O/c1-28(2)20-10-6-17(7-11-20)21(30-14-12-29(3)13-15-30)16-27-22(31)18-4-8-19(9-5-18)23(24,25)26/h4-11,21H,12-16H2,1-3H3,(H,27,31)/t21-/m0/s1

InChI Key

LJCTVIWQCAMLMO-NRFANRHFSA-N

MDL Number (MFCD)

MFCD08005264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.300

Distribution Coefficient, logD

2.927

Water Solubility, LogSw

-3.51

Polar Surface Area

33.922

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

G500-0455 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G500-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G500-0455?
Check Price and Availability of G500-0455, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G500-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G500-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G500-0455
  • 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 G500-0455 available by request