V018-0538 Screening compound: ethyl 1-[3-(3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperidine-3-carboxylate

V018-0538 Screening compound: ethyl 1-[3-(3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperidine-3-carboxylate
V018-0538 Screening compound: ethyl 1-[3-(3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-0538
ethyl 1-[3-(3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperidine-3-carboxylate

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

V018-0538

Molecular Formula

C28H31FN4O6 (C28 H31 FN4 O6)

Compound Name

ethyl 1-[3-(3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[3-(3-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-5-oxo-25-dihydro-124-triazin-6-yl)propanoyl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(CCC1=NNC(c(cc2)cc(OC)c2OCc2cccc(F)c2)=NC1=O)=O)=O

InChI

InChI=1S/C28H31FN4O6/c1-3-38-28(36)20-7-5-13-33(16-20)25(34)12-10-22-27(35)30-26(32-31-22)19-9-11-23(24(15-19)37-2)39-17-18-6-4-8-21(29)14-18/h4,6,8-9,11,14-15,20H,3,5,7,10,12-13,16-17H2,1-2H3,(H,30,32,35)/t20-/m0/s1

InChI Key

KWAODWMUBBTRIV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14264213

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

538.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.749

Distribution Coefficient, logD

2.749

Water Solubility, LogSw

-3.11

Polar Surface Area

98.332

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

V018-0538 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 V018-0538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-0538?
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What is the minimum amount of V018-0538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-0538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-0538
  • 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 V018-0538 available by request