V020-8984 Screening compound: 3-{3-[3-(benzyloxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-[(4-fluorophenyl)methyl]propanamide

V020-8984 Screening compound: 3-{3-[3-(benzyloxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-[(4-fluorophenyl)methyl]propanamide
V020-8984 Screening compound: 3-{3-[3-(benzyloxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-[(4-fluorophenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-8984
3-{3-[3-(benzyloxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-[(4-fluorophenyl)methyl]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

V020-8984

Molecular Formula

C26H23FN4O3 (C26 H23 FN4 O3)

Compound Name

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

IUPAC name

3-{3-[3-(benzyloxy)phenyl]-5-oxo-25-dihydro-124-triazin-6-yl}-N-[(4-fluorophenyl)methyl]propanamide

SMILES

O=C(CCC1=NNC(c2cc(OCc3ccccc3)ccc2)=NC1=O)NCc(cc1)ccc1F

InChI

InChI=1S/C26H23FN4O3/c27-21-11-9-18(10-12-21)16-28-24(32)14-13-23-26(33)29-25(31-30-23)20-7-4-8-22(15-20)34-17-19-5-2-1-3-6-19/h1-12,15H,13-14,16-17H2,(H,28,32)(H,29,31,33)

InChI Key

JTMZWCIPTPPYAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13268284

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

458.49

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

3.363

Distribution Coefficient, logD

3.363

Water Solubility, LogSw

-3.56

Polar Surface Area

78.007

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

V020-8984 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 V020-8984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-8984?
Check Price and Availability of V020-8984, 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 V020-8984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-8984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-8984
  • 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 V020-8984 available by request