V029-5951 Screening compound: 3-[4-(cyclobutylmethoxy)-3-methoxyphenyl]-6-[3-(morpholin-4-yl)-3-oxopropyl]-2,5-dihydro-1,2,4-triazin-5-one

V029-5951 Screening compound: 3-[4-(cyclobutylmethoxy)-3-methoxyphenyl]-6-[3-(morpholin-4-yl)-3-oxopropyl]-2,5-dihydro-1,2,4-triazin-5-one
V029-5951 Screening compound: 3-[4-(cyclobutylmethoxy)-3-methoxyphenyl]-6-[3-(morpholin-4-yl)-3-oxopropyl]-2,5-dihydro-1,2,4-triazin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5951
3-[4-(cyclobutylmethoxy)-3-methoxyphenyl]-6-[3-(morpholin-4-yl)-3-oxopropyl]-2,5-dihydro-1,2,4-triazin-5-one

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

V029-5951

Molecular Formula

C22H28N4O5 (C22 H28 N4 O5)

Compound Name

3-[4-(cyclobutylmethoxy)-3-methoxyphenyl]-6-[3-(morpholin-4-yl)-3-oxopropyl]-2,5-dihydro-1,2,4-triazin-5-one

IUPAC name

3-[4-(cyclobutylmethoxy)-3-methoxyphenyl]-6-[3-(morpholin-4-yl)-3-oxopropyl]-25-dihydro-124-triazin-5-one

SMILES

COc(cc(cc1)C(NN=C2CCC(N3CCOCC3)=O)=NC2=O)c1OCC1CCC1

InChI

InChI=1S/C22H28N4O5/c1-29-19-13-16(5-7-18(19)31-14-15-3-2-4-15)21-23-22(28)17(24-25-21)6-8-20(27)26-9-11-30-12-10-26/h5,7,13,15H,2-4,6,8-12,14H2,1H3,(H,23,25,28)

InChI Key

MAYSHXBRVRNPAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19934907

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.080

Distribution Coefficient, logD

1.080

Water Solubility, LogSw

-1.97

Polar Surface Area

86.077

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

V029-5951 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 V029-5951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5951?
Check Price and Availability of V029-5951, 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 V029-5951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5951
  • 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 V029-5951 available by request