V021-0533 Screening compound: 3-[4-(cyclobutylmethoxy)phenyl]-6-(3-oxo-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-2,5-dihydro-1,2,4-triazin-5-one

V021-0533 Screening compound: 3-[4-(cyclobutylmethoxy)phenyl]-6-(3-oxo-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-2,5-dihydro-1,2,4-triazin-5-one
V021-0533 Screening compound: 3-[4-(cyclobutylmethoxy)phenyl]-6-(3-oxo-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-2,5-dihydro-1,2,4-triazin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-0533
3-[4-(cyclobutylmethoxy)phenyl]-6-(3-oxo-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-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

V021-0533

Molecular Formula

C27H36N6O4 (C27 H36 N6 O4)

Compound Name

3-[4-(cyclobutylmethoxy)phenyl]-6-(3-oxo-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-2,5-dihydro-1,2,4-triazin-5-one

IUPAC name

3-[4-(cyclobutylmethoxy)phenyl]-6-(3-oxo-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-25-dihydro-124-triazin-5-one

SMILES

O=C(CN(CC1)CCN1C(CCC1=NNC(c(cc2)ccc2OCC2CCC2)=NC1=O)=O)N1CCCC1

InChI

InChI=1S/C27H36N6O4/c34-24(33-16-14-31(15-17-33)18-25(35)32-12-1-2-13-32)11-10-23-27(36)28-26(30-29-23)21-6-8-22(9-7-21)37-19-20-4-3-5-20/h6-9,20H,1-5,10-19H2,(H,28,30,36)

InChI Key

QQMJWFNUBMLLCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14263686

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

508.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.091

Distribution Coefficient, logD

0.150

Water Solubility, LogSw

-2.11

Polar Surface Area

90.750

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.26

V021-0533 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 V021-0533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-0533?
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What is the minimum amount of V021-0533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-0533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-0533
  • 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 V021-0533 available by request