V016-8501 Screening compound: 2-ethyl-N-{[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}-N-(3-methoxypropyl)hexanamide

V016-8501 Screening compound: 2-ethyl-N-{[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}-N-(3-methoxypropyl)hexanamide
V016-8501 Screening compound: 2-ethyl-N-{[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}-N-(3-methoxypropyl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8501
2-ethyl-N-{[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}-N-(3-methoxypropyl)hexanamide

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

V016-8501

Molecular Formula

C28H44FN5O2 (C28 H44 FN5 O2)

Compound Name

2-ethyl-N-{[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}-N-(3-methoxypropyl)hexanamide

IUPAC name

2-ethyl-N-{[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}-N-(3-methoxypropyl)hexanamide

SMILES

CCCCC(CC)C(N(CCCOC)Cc(c(C)nn1-c2cccc(F)c2)c1N1CCN(C)CC1)=O

InChI

InChI=1S/C28H44FN5O2/c1-6-8-11-23(7-2)28(35)33(14-10-19-36-5)21-26-22(3)30-34(25-13-9-12-24(29)20-25)27(26)32-17-15-31(4)16-18-32/h9,12-13,20,23H,6-8,10-11,14-19,21H2,1-5H3/t23-/m0/s1

InChI Key

PQZPTVDUPYFMGV-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19941819

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

501.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.051

Distribution Coefficient, logD

3.135

Water Solubility, LogSw

-4.73

Polar Surface Area

45.195

Acid Dissociation Constant (pKa)

23.06

Base Dissociation Constant (pKb)

9.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.30

References: we are preparing a list of scientific research reports with V016-8501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8501?
Check Price and Availability of V016-8501, 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 V016-8501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8501
  • 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 V016-8501 available by request