V004-4398 Screening compound: 3-{3-[3-(cyclobutylmethoxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropanamide

V004-4398 Screening compound: 3-{3-[3-(cyclobutylmethoxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropanamide
V004-4398 Screening compound: 3-{3-[3-(cyclobutylmethoxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-4398
3-{3-[3-(cyclobutylmethoxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropanamide

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

V004-4398

Molecular Formula

C28H34N4O5 (C28 H34 N4 O5)

Compound Name

3-{3-[3-(cyclobutylmethoxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropanamide

IUPAC name

3-{3-[3-(cyclobutylmethoxy)phenyl]-5-oxo-25-dihydro-124-triazin-6-yl}-N-[2-(34-dimethoxyphenyl)ethyl]-N-methylpropanamide

SMILES

CN(CCc(cc1)cc(OC)c1OC)C(CCC1=NNC(c2cc(OCC3CCC3)ccc2)=NC1=O)=O

InChI

InChI=1S/C28H34N4O5/c1-32(15-14-19-10-12-24(35-2)25(16-19)36-3)26(33)13-11-23-28(34)29-27(31-30-23)21-8-5-9-22(17-21)37-18-20-6-4-7-20/h5,8-10,12,16-17,20H,4,6-7,11,13-15,18H2,1-3H3,(H,29,31,34)

InChI Key

LUGUFFSYRURDRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14264015

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

506.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.865

Distribution Coefficient, logD

2.865

Water Solubility, LogSw

-3.44

Polar Surface Area

85.193

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

V004-4398 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 V004-4398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-4398?
Check Price and Availability of V004-4398, 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 V004-4398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-4398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-4398
  • 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 V004-4398 available by request