V018-4779 Screening compound: 3-[3-(4-butoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-[(pyridin-2-yl)methyl]propanamide

V018-4779 Screening compound: 3-[3-(4-butoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-[(pyridin-2-yl)methyl]propanamide
V018-4779 Screening compound: 3-[3-(4-butoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-[(pyridin-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-4779
3-[3-(4-butoxyphenyl)-5-oxo-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

V018-4779

Molecular Formula

C22H25N5O3 (C22 H25 N5 O3)

Compound Name

3-[3-(4-butoxyphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N-[(pyridin-2-yl)methyl]propanamide

IUPAC name

3-[3-(4-butoxyphenyl)-5-oxo-25-dihydro-124-triazin-6-yl]-N-[(pyridin-2-yl)methyl]propanamide

SMILES

CCCCOc(cc1)ccc1C(NN=C1CCC(NCc2ncccc2)=O)=NC1=O

InChI

InChI=1S/C22H25N5O3/c1-2-3-14-30-18-9-7-16(8-10-18)21-25-22(29)19(26-27-21)11-12-20(28)24-15-17-6-4-5-13-23-17/h4-10,13H,2-3,11-12,14-15H2,1H3,(H,24,28)(H,25,27,29)

InChI Key

OVSUIXYCRHHBAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14263543

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.439

Distribution Coefficient, logD

1.498

Water Solubility, LogSw

-2.68

Polar Surface Area

87.740

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

V018-4779 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 V018-4779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-4779?
Check Price and Availability of V018-4779, 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 V018-4779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-4779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-4779
  • 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 V018-4779 available by request