V003-9966 Screening compound: ethyl({[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl})[(1-methyl-1H-pyrrol-2-yl)methyl]amine

V003-9966 Screening compound: ethyl({[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl})[(1-methyl-1H-pyrrol-2-yl)methyl]amine
V003-9966 Screening compound: ethyl({[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl})[(1-methyl-1H-pyrrol-2-yl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-9966
ethyl({[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl})[(1-methyl-1H-pyrrol-2-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

V003-9966

Molecular Formula

C25H35FN6 (C25 H35 FN6)

Compound Name

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

IUPAC name

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

SMILES

CCN(Cc1cccn1C)Cc(c(C)nn1-c2cccc(F)c2)c1N1CCN(CC)CC1

InChI

InChI=1S/C25H35FN6/c1-5-29-13-15-31(16-14-29)25-24(19-30(6-2)18-23-11-8-12-28(23)4)20(3)27-32(25)22-10-7-9-21(26)17-22/h7-12,17H,5-6,13-16,18-19H2,1-4H3

InChI Key

OCXACUFRYZOCAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14284923

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

438.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.965

Distribution Coefficient, logD

-0.026

Water Solubility, LogSw

-3.96

Polar Surface Area

26.786

Acid Dissociation Constant (pKa)

23.96

Base Dissociation Constant (pKb)

11.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

V003-9966 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 V003-9966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-9966?
Check Price and Availability of V003-9966, 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 V003-9966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-9966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-9966
  • 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 V003-9966 available by request