V020-8978 Screening compound: N-(cyclohexylmethyl)-3-(3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanamide

V020-8978 Screening compound: N-(cyclohexylmethyl)-3-(3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanamide
V020-8978 Screening compound: N-(cyclohexylmethyl)-3-(3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-8978
N-(cyclohexylmethyl)-3-(3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)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

V020-8978

Molecular Formula

C27H31FN4O4 (C27 H31 FN4 O4)

Compound Name

N-(cyclohexylmethyl)-3-(3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanamide

IUPAC name

N-(cyclohexylmethyl)-3-(3-{4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}-5-oxo-25-dihydro-124-triazin-6-yl)propanamide

SMILES

COc(cc(cc1)C(NN=C2CCC(NCC3CCCCC3)=O)=NC2=O)c1OCc(cc1)ccc1F

InChI

InChI=1S/C27H31FN4O4/c1-35-24-15-20(9-13-23(24)36-17-19-7-10-21(28)11-8-19)26-30-27(34)22(31-32-26)12-14-25(33)29-16-18-5-3-2-4-6-18/h7-11,13,15,18H,2-6,12,14,16-17H2,1H3,(H,29,33)(H,30,32,34)

InChI Key

XSDLDJPSYGAKPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14264155

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

494.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.623

Distribution Coefficient, logD

3.623

Water Solubility, LogSw

-4.01

Polar Surface Area

85.916

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.74

V020-8978 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 V020-8978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-8978?
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What is the minimum amount of V020-8978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-8978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-8978
  • 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 V020-8978 available by request