V022-4780 Screening compound: N-(butan-2-yl)-3-{3-[4-(2-methylpropoxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}propanamide

V022-4780 Screening compound: N-(butan-2-yl)-3-{3-[4-(2-methylpropoxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}propanamide
V022-4780 Screening compound: N-(butan-2-yl)-3-{3-[4-(2-methylpropoxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-4780
N-(butan-2-yl)-3-{3-[4-(2-methylpropoxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}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

V022-4780

Molecular Formula

C20H28N4O3 (C20 H28 N4 O3)

Compound Name

N-(butan-2-yl)-3-{3-[4-(2-methylpropoxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}propanamide

IUPAC name

N-(butan-2-yl)-3-{3-[4-(2-methylpropoxy)phenyl]-5-oxo-25-dihydro-124-triazin-6-yl}propanamide

SMILES

CCC(C)NC(CCC1=NNC(c(cc2)ccc2OCC(C)C)=NC1=O)=O

InChI

InChI=1S/C20H28N4O3/c1-5-14(4)21-18(25)11-10-17-20(26)22-19(24-23-17)15-6-8-16(9-7-15)27-12-13(2)3/h6-9,13-14H,5,10-12H2,1-4H3,(H,21,25)(H,22,24,26)/t14-/m0/s1

InChI Key

OMVWOICMTUNNHH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14263650

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

372.47

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

2.795

Distribution Coefficient, logD

1.853

Water Solubility, LogSw

-3.28

Polar Surface Area

77.992

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V022-4780 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V022-4780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-4780?
Check Price and Availability of V022-4780, 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 V022-4780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-4780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-4780
  • 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 V022-4780 available by request