V003-9467 Screening compound: ethyl 1-(3-{3-[4-(3-butenyloxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}propanoyl)-4-piperidinecarboxylate

V003-9467 Screening compound: ethyl 1-(3-{3-[4-(3-butenyloxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}propanoyl)-4-piperidinecarboxylate
V003-9467 Screening compound: ethyl 1-(3-{3-[4-(3-butenyloxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}propanoyl)-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-9467
ethyl 1-(3-{3-[4-(3-butenyloxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}propanoyl)-4-piperidinecarboxylate

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

V003-9467

Molecular Formula

C25H32N4O6 (C25 H32 N4 O6)

Compound Name

ethyl 1-(3-{3-[4-(3-butenyloxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}propanoyl)-4-piperidinecarboxylate

IUPAC name

ethyl 1-(3-{3-[4-(but-3-en-1-yloxy)-3-methoxyphenyl]-5-oxo-25-dihydro-124-triazin-6-yl}propanoyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(CCC1=NNC(c(cc2)cc(OC)c2OCCC=C)=NC1=O)=O)=O

InChI

InChI=1S/C25H32N4O6/c1-4-6-15-35-20-9-7-18(16-21(20)33-3)23-26-24(31)19(27-28-23)8-10-22(30)29-13-11-17(12-14-29)25(32)34-5-2/h4,7,9,16-17H,1,5-6,8,10-15H2,2-3H3,(H,26,28,31)

InChI Key

UJGUFBZCXQRUOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14264416

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

484.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.140

Distribution Coefficient, logD

2.140

Water Solubility, LogSw

-2.80

Polar Surface Area

98.589

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

V003-9467 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 V003-9467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-9467?
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What is the minimum amount of V003-9467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-9467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-9467
  • 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 V003-9467 available by request