V031-2956 Screening compound: 3-(3,4-difluorophenyl)-6-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-2,5-dihydro-1,2,4-triazin-5-one

V031-2956 Screening compound: 3-(3,4-difluorophenyl)-6-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-2,5-dihydro-1,2,4-triazin-5-one
V031-2956 Screening compound: 3-(3,4-difluorophenyl)-6-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-2,5-dihydro-1,2,4-triazin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2956
3-(3,4-difluorophenyl)-6-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-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

V031-2956

Molecular Formula

C21H18F2N4O2 (C21 H18 F2 N4 O2)

Compound Name

3-(3,4-difluorophenyl)-6-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-2,5-dihydro-1,2,4-triazin-5-one

IUPAC name

3-(34-difluorophenyl)-6-[3-oxo-3-(1234-tetrahydroisoquinolin-2-yl)propyl]-25-dihydro-124-triazin-5-one

SMILES

O=C(CCC1=NNC(c(cc2)cc(F)c2F)=NC1=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C21H18F2N4O2/c22-16-6-5-14(11-17(16)23)20-24-21(29)18(25-26-20)7-8-19(28)27-10-9-13-3-1-2-4-15(13)12-27/h1-6,11H,7-10,12H2,(H,24,26,29)

InChI Key

GMZJBWNDMIZXBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14264739

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

396.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.766

Distribution Coefficient, logD

-0.265

Water Solubility, LogSw

-3.21

Polar Surface Area

62.362

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

V031-2956 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 V031-2956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2956?
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What is the minimum amount of V031-2956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2956
  • 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 V031-2956 available by request