V004-0074 Screening compound: 6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-5-one

V004-0074 Screening compound: 6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-5-one
V004-0074 Screening compound: 6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0074
6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-5-one

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

V004-0074

Molecular Formula

C25H26F3N5O2 (C25 H26 F3 N5 O2)

Compound Name

6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-5-one

IUPAC name

n/a

SMILES

O=C(CCC1=NNC(Cc2cccc(C(F)(F)F)c2)=NC1=O)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C25H26F3N5O2/c26-25(27,28)20-8-4-7-19(15-20)16-22-29-24(35)21(30-31-22)9-10-23(34)33-13-11-32(12-14-33)17-18-5-2-1-3-6-18/h1-8,15H,9-14,16-17H2,(H,29,31,35)

InChI Key

ZRXOOAZTQGRRLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14264774

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

485.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.778

Distribution Coefficient, logD

2.595

Water Solubility, LogSw

-3.38

Polar Surface Area

66.250

Acid Dissociation Constant (pKa)

7.79

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with V004-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0074?
Check Price and Availability of V004-0074, 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 V004-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0074
  • 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 V004-0074 available by request