V020-8968 Screening compound: 3-(3-{4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

V020-8968 Screening compound: 3-(3-{4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
V020-8968 Screening compound: 3-(3-{4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-8968
3-(3-{4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]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

V020-8968

Molecular Formula

C30H31ClN4O6 (C30 H31 ClN4 O6)

Compound Name

3-(3-{4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

IUPAC name

3-(3-{4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl}-5-oxo-25-dihydro-124-triazin-6-yl)-N-[2-(34-dimethoxyphenyl)ethyl]propanamide

SMILES

COc(ccc(CCNC(CCC1=NNC(c(cc2)cc(OC)c2OCc2cccc(Cl)c2)=NC1=O)=O)c1)c1OC

InChI

InChI=1S/C30H31ClN4O6/c1-38-24-10-7-19(16-26(24)39-2)13-14-32-28(36)12-9-23-30(37)33-29(35-34-23)21-8-11-25(27(17-21)40-3)41-18-20-5-4-6-22(31)15-20/h4-8,10-11,15-17H,9,12-14,18H2,1-3H3,(H,32,36)(H,33,35,37)

InChI Key

FXIBKYOMCAWLRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14264180

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

579.05

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.002

Distribution Coefficient, logD

3.002

Water Solubility, LogSw

-3.54

Polar Surface Area

100.827

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

V020-8968 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 V020-8968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-8968?
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What is the minimum amount of V020-8968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-8968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-8968
  • 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 V020-8968 available by request