V003-9359 Screening compound: 3-{3-[4-(but-3-en-1-yloxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-(3-methylbutyl)propanamide

V003-9359 Screening compound: 3-{3-[4-(but-3-en-1-yloxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-(3-methylbutyl)propanamide
V003-9359 Screening compound: 3-{3-[4-(but-3-en-1-yloxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-(3-methylbutyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-9359
3-{3-[4-(but-3-en-1-yloxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-(3-methylbutyl)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

V003-9359

Molecular Formula

C22H30N4O4 (C22 H30 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-(3-methylbutyl)propanamide

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H30N4O4/c1-5-6-13-30-18-9-7-16(14-19(18)29-4)21-24-22(28)17(25-26-21)8-10-20(27)23-12-11-15(2)3/h5,7,9,14-15H,1,6,8,10-13H2,2-4H3,(H,23,27)(H,24,26,28)

InChI Key

AUMLOJDOFVLVKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14264422

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

414.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.502

Distribution Coefficient, logD

2.502

Water Solubility, LogSw

-2.91

Polar Surface Area

86.027

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

V003-9359 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 V003-9359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-9359?
Check Price and Availability of V003-9359, 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 V003-9359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-9359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-9359
  • 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 V003-9359 available by request