V003-9525 Screening compound: 3-{3-[4-(but-3-en-1-yloxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-(1-phenylethyl)propanamide

V003-9525 Screening compound: 3-{3-[4-(but-3-en-1-yloxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-(1-phenylethyl)propanamide
V003-9525 Screening compound: 3-{3-[4-(but-3-en-1-yloxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-(1-phenylethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-9525
3-{3-[4-(but-3-en-1-yloxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-(1-phenylethyl)propanamide

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

V003-9525

Molecular Formula

C25H28N4O4 (C25 H28 N4 O4)

Compound Name

3-{3-[4-(but-3-en-1-yloxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-(1-phenylethyl)propanamide

IUPAC name

3-{3-[4-(but-3-en-1-yloxy)-3-methoxyphenyl]-5-oxo-25-dihydro-124-triazin-6-yl}-N-(1-phenylethyl)propanamide

SMILES

CC(c1ccccc1)NC(CCC1=NNC(c(cc2)cc(OC)c2OCCC=C)=NC1=O)=O

InChI

InChI=1S/C25H28N4O4/c1-4-5-15-33-21-13-11-19(16-22(21)32-3)24-27-25(31)20(28-29-24)12-14-23(30)26-17(2)18-9-7-6-8-10-18/h4,6-11,13,16-17H,1,5,12,14-15H2,2-3H3,(H,26,30)(H,27,29,31)/t17-/m0/s1

InChI Key

QMLKBAMLCDRRLB-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14264415

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.991

Distribution Coefficient, logD

2.991

Water Solubility, LogSw

-3.42

Polar Surface Area

85.078

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

V003-9525 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 V003-9525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-9525?
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What is the minimum amount of V003-9525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-9525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-9525
  • 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 V003-9525 available by request