V005-1168 Screening compound: 3-{3-methoxy-4-[(3-methoxybenzyl)oxy]phenyl}-6-[3-(4-methylpiperazino)-3-oxopropyl]-1,2,4-triazin-5(2H)-one

V005-1168 Screening compound: 3-{3-methoxy-4-[(3-methoxybenzyl)oxy]phenyl}-6-[3-(4-methylpiperazino)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
V005-1168 Screening compound: 3-{3-methoxy-4-[(3-methoxybenzyl)oxy]phenyl}-6-[3-(4-methylpiperazino)-3-oxopropyl]-1,2,4-triazin-5(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-1168
3-{3-methoxy-4-[(3-methoxybenzyl)oxy]phenyl}-6-[3-(4-methylpiperazino)-3-oxopropyl]-1,2,4-triazin-5(2H)-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

V005-1168

Molecular Formula

C26H31N5O5 (C26 H31 N5 O5)

Compound Name

3-{3-methoxy-4-[(3-methoxybenzyl)oxy]phenyl}-6-[3-(4-methylpiperazino)-3-oxopropyl]-1,2,4-triazin-5(2H)-one

IUPAC name

n/a

SMILES

CN(CC1)CCN1C(CCC1=NNC(c(cc2)cc(OC)c2OCc2cc(OC)ccc2)=NC1=O)=O

InChI

InChI=1S/C26H31N5O5/c1-30-11-13-31(14-12-30)24(32)10-8-21-26(33)27-25(29-28-21)19-7-9-22(23(16-19)35-3)36-17-18-5-4-6-20(15-18)34-2/h4-7,9,15-16H,8,10-14,17H2,1-3H3,(H,27,29,33)

InChI Key

CVGQRXQSUITWKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14264259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.521

Distribution Coefficient, logD

1.521

Water Solubility, LogSw

-1.99

Polar Surface Area

88.666

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

V005-1168 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 V005-1168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-1168?
Check Price and Availability of V005-1168, 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 V005-1168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-1168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-1168
  • 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 V005-1168 available by request