V021-0546 Screening compound: 3-{3-[4-(cyclobutylmethoxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-[2-(piperidin-1-yl)ethyl]propanamide

V021-0546 Screening compound: 3-{3-[4-(cyclobutylmethoxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-[2-(piperidin-1-yl)ethyl]propanamide
V021-0546 Screening compound: 3-{3-[4-(cyclobutylmethoxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-[2-(piperidin-1-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-0546
3-{3-[4-(cyclobutylmethoxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-[2-(piperidin-1-yl)ethyl]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

V021-0546

Molecular Formula

C25H35N5O4 (C25 H35 N5 O4)

Compound Name

3-{3-[4-(cyclobutylmethoxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-[2-(piperidin-1-yl)ethyl]propanamide

IUPAC name

3-{3-[4-(cyclobutylmethoxy)-3-methoxyphenyl]-5-oxo-25-dihydro-124-triazin-6-yl}-N-[2-(piperidin-1-yl)ethyl]propanamide

SMILES

COc(cc(cc1)C(NN=C2CCC(NCCN3CCCCC3)=O)=NC2=O)c1OCC1CCC1

InChI

InChI=1S/C25H35N5O4/c1-33-22-16-19(8-10-21(22)34-17-18-6-5-7-18)24-27-25(32)20(28-29-24)9-11-23(31)26-12-15-30-13-3-2-4-14-30/h8,10,16,18H,2-7,9,11-15,17H2,1H3,(H,26,31)(H,27,29,32)

InChI Key

CUQLZFZFGFDTQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14264384

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

469.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.666

Distribution Coefficient, logD

1.666

Water Solubility, LogSw

-2.14

Polar Surface Area

90.071

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

9.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

V021-0546 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V021-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-0546?
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What is the minimum amount of V021-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-0546
  • 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 V021-0546 available by request