V005-8794 Screening compound: {[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}(2-methylpropyl)[(thiophen-3-yl)methyl]amine

V005-8794 Screening compound: {[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}(2-methylpropyl)[(thiophen-3-yl)methyl]amine
V005-8794 Screening compound: {[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}(2-methylpropyl)[(thiophen-3-yl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-8794
{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}(2-methylpropyl)[(thiophen-3-yl)methyl]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

V005-8794

Molecular Formula

C26H36FN5S (C26 H36 FN5 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)CCN1c1c(CN(CC(C)C)Cc2cscc2)c(C)nn1-c1cc(F)ccc1

InChI

InChI=1S/C26H36FN5S/c1-5-29-10-12-31(13-11-29)26-25(18-30(16-20(2)3)17-22-9-14-33-19-22)21(4)28-32(26)24-8-6-7-23(27)15-24/h6-9,14-15,19-20H,5,10-13,16-18H2,1-4H3

InChI Key

RTNKWURXMSJJEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19942291

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

469.67

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

5.167

Distribution Coefficient, logD

-0.366

Water Solubility, LogSw

-5.16

Polar Surface Area

25.181

Acid Dissociation Constant (pKa)

24.57

Base Dissociation Constant (pKb)

12.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V005-8794 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 V005-8794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-8794?
Check Price and Availability of V005-8794, 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 V005-8794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-8794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-8794
  • 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 V005-8794 available by request