V018-4587 Screening compound: {[5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}[(4-methylphenyl)methyl](2-methylpropyl)amine

V018-4587 Screening compound: {[5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}[(4-methylphenyl)methyl](2-methylpropyl)amine
V018-4587 Screening compound: {[5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}[(4-methylphenyl)methyl](2-methylpropyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-4587
{[5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}[(4-methylphenyl)methyl](2-methylpropyl)amine

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

V018-4587

Molecular Formula

C29H40FN5 (C29 H40 FN5)

Compound Name

{[5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}[(4-methylphenyl)methyl](2-methylpropyl)amine

IUPAC name

{[5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}[(4-methylphenyl)methyl](2-methylpropyl)amine

SMILES

CCN(CC1)CCN1c1c(CN(CC(C)C)Cc2ccc(C)cc2)c(C)nn1-c(cc1)ccc1F

InChI

InChI=1S/C29H40FN5/c1-6-32-15-17-34(18-16-32)29-28(24(5)31-35(29)27-13-11-26(30)12-14-27)21-33(19-22(2)3)20-25-9-7-23(4)8-10-25/h7-14,22H,6,15-21H2,1-5H3

InChI Key

NNAKCTAKSQQJJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14284874

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

477.67

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.836

Distribution Coefficient, logD

0.669

Water Solubility, LogSw

-5.64

Polar Surface Area

24.163

Acid Dissociation Constant (pKa)

24.17

Base Dissociation Constant (pKb)

12.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.30

V018-4587 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V018-4587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-4587?
Check Price and Availability of V018-4587, 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 V018-4587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-4587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-4587
  • 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 V018-4587 available by request