V017-8448 Screening compound: 3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-6-(3-oxo-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-2,5-dihydro-1,2,4-triazin-5-one

V017-8448 Screening compound: 3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-6-(3-oxo-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-2,5-dihydro-1,2,4-triazin-5-one
V017-8448 Screening compound: 3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-6-(3-oxo-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-2,5-dihydro-1,2,4-triazin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-8448
3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-6-(3-oxo-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-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

V017-8448

Molecular Formula

C30H35FN6O5 (C30 H35 FN6 O5)

Compound Name

3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-6-(3-oxo-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-2,5-dihydro-1,2,4-triazin-5-one

IUPAC name

3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-6-(3-oxo-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-25-dihydro-124-triazin-5-one

SMILES

COc(cc(cc1)C(NN=C2CCC(N3CCN(CC(N4CCCC4)=O)CC3)=O)=NC2=O)c1OCc1cccc(F)c1

InChI

InChI=1S/C30H35FN6O5/c1-41-26-18-22(7-9-25(26)42-20-21-5-4-6-23(31)17-21)29-32-30(40)24(33-34-29)8-10-27(38)37-15-13-35(14-16-37)19-28(39)36-11-2-3-12-36/h4-7,9,17-18H,2-3,8,10-16,19-20H2,1H3,(H,32,34,40)

InChI Key

GOKVWMPHXYYKLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14264215

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

578.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.420

Distribution Coefficient, logD

1.420

Water Solubility, LogSw

-2.02

Polar Surface Area

97.944

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.30

V017-8448 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V017-8448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-8448?
Check Price and Availability of V017-8448, 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 V017-8448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-8448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-8448
  • 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 V017-8448 available by request