V018-6396 Screening compound: N-{[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-{[4-(propan-2-yl)phenyl]methyl}cyclopropanamine

V018-6396 Screening compound: N-{[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-{[4-(propan-2-yl)phenyl]methyl}cyclopropanamine
V018-6396 Screening compound: N-{[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-{[4-(propan-2-yl)phenyl]methyl}cyclopropanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-6396
N-{[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-{[4-(propan-2-yl)phenyl]methyl}cyclopropanamine

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

V018-6396

Molecular Formula

C31H42FN5 (C31 H42 FN5)

Compound Name

N-{[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-{[4-(propan-2-yl)phenyl]methyl}cyclopropanamine

IUPAC name

N-{[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-{[4-(propan-2-yl)phenyl]methyl}cyclopropanamine

SMILES

CCc(c(CN(Cc1ccc(C(C)C)cc1)C1CC1)c1N2CCN(CC)CC2)nn1-c(cc1)ccc1F

InChI

InChI=1S/C31H42FN5/c1-5-30-29(22-36(27-15-16-27)21-24-7-9-25(10-8-24)23(3)4)31(35-19-17-34(6-2)18-20-35)37(33-30)28-13-11-26(32)12-14-28/h7-14,23,27H,5-6,15-22H2,1-4H3

InChI Key

LEZDUVGEFKUCOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14284867

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

503.71

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.762

Distribution Coefficient, logD

3.025

Water Solubility, LogSw

-5.97

Polar Surface Area

24.048

Acid Dissociation Constant (pKa)

23.85

Base Dissociation Constant (pKb)

11.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.60

V018-6396 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V018-6396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-6396?
Check Price and Availability of V018-6396, 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 V018-6396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-6396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-6396
  • 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 V018-6396 available by request