V003-9618 Screening compound: 3-{5-oxo-3-[3-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1,2,4-triazin-6-yl}-N-[(pyridin-2-yl)methyl]propanamide

V003-9618 Screening compound: 3-{5-oxo-3-[3-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1,2,4-triazin-6-yl}-N-[(pyridin-2-yl)methyl]propanamide
V003-9618 Screening compound: 3-{5-oxo-3-[3-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1,2,4-triazin-6-yl}-N-[(pyridin-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-9618
3-{5-oxo-3-[3-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1,2,4-triazin-6-yl}-N-[(pyridin-2-yl)methyl]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

V003-9618

Molecular Formula

C21H21N5O3 (C21 H21 N5 O3)

Compound Name

3-{5-oxo-3-[3-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1,2,4-triazin-6-yl}-N-[(pyridin-2-yl)methyl]propanamide

IUPAC name

3-{5-oxo-3-[3-(prop-2-en-1-yloxy)phenyl]-25-dihydro-124-triazin-6-yl}-N-[(pyridin-2-yl)methyl]propanamide

SMILES

C=CCOc1cccc(C(NN=C2CCC(NCc3ncccc3)=O)=NC2=O)c1

InChI

InChI=1S/C21H21N5O3/c1-2-12-29-17-8-5-6-15(13-17)20-24-21(28)18(25-26-20)9-10-19(27)23-14-16-7-3-4-11-22-16/h2-8,11,13H,1,9-10,12,14H2,(H,23,27)(H,24,26,28)

InChI Key

GZNCDWVHKFBUCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14263826

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

391.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.543

Distribution Coefficient, logD

1.543

Water Solubility, LogSw

-2.02

Polar Surface Area

87.740

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

V003-9618 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 V003-9618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-9618?
Check Price and Availability of V003-9618, 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 V003-9618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-9618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-9618
  • 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 V003-9618 available by request