V003-9331 Screening compound: 3-{3-[4-(but-3-en-1-yloxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-cyclopropylpropanamide

V003-9331 Screening compound: 3-{3-[4-(but-3-en-1-yloxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-cyclopropylpropanamide
V003-9331 Screening compound: 3-{3-[4-(but-3-en-1-yloxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-cyclopropylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-9331
3-{3-[4-(but-3-en-1-yloxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-cyclopropylpropanamide

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

V003-9331

Molecular Formula

C19H22N4O3 (C19 H22 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

C=CCCOc(cc1)ccc1C(NN=C1CCC(NC2CC2)=O)=NC1=O

InChI

InChI=1S/C19H22N4O3/c1-2-3-12-26-15-8-4-13(5-9-15)18-21-19(25)16(22-23-18)10-11-17(24)20-14-6-7-14/h2,4-5,8-9,14H,1,3,6-7,10-12H2,(H,20,24)(H,21,23,25)

InChI Key

KDZYSMBYAGKYTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14263725

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.040

Distribution Coefficient, logD

1.099

Water Solubility, LogSw

-2.52

Polar Surface Area

78.254

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

V003-9331 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 V003-9331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-9331?
Check Price and Availability of V003-9331, 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 V003-9331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-9331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-9331
  • 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 V003-9331 available by request