V022-5196 Screening compound: 3-(3-chloro-4-fluorophenyl)-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

V022-5196 Screening compound: 3-(3-chloro-4-fluorophenyl)-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
V022-5196 Screening compound: 3-(3-chloro-4-fluorophenyl)-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 V022-5196
3-(3-chloro-4-fluorophenyl)-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

V022-5196

Molecular Formula

C22H26ClFN6O3 (C22 H26 ClFN6 O3)

Compound Name

3-(3-chloro-4-fluorophenyl)-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-(3-chloro-4-fluorophenyl)-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)cc(Cl)c2F)=NC1=O)=O)N1CCCC1

InChI

InChI=1S/C22H26ClFN6O3/c23-16-13-15(3-4-17(16)24)21-25-22(33)18(26-27-21)5-6-19(31)30-11-9-28(10-12-30)14-20(32)29-7-1-2-8-29/h3-4,13H,1-2,5-12,14H2,(H,25,27,33)

InChI Key

UHXNRXJEIJGQNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14264849

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

476.94

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.623

Distribution Coefficient, logD

-2.408

Water Solubility, LogSw

-2.71

Polar Surface Area

82.999

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V022-5196 in Drug Discovery

Included in Screening Libraries

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 V022-5196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-5196?
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What is the minimum amount of V022-5196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-5196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-5196
  • 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 V022-5196 available by request