V020-8950 Screening compound: ethyl 1-[3-(3-{4-[(3-chlorophenyl)methoxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperidine-3-carboxylate

V020-8950 Screening compound: ethyl 1-[3-(3-{4-[(3-chlorophenyl)methoxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperidine-3-carboxylate
V020-8950 Screening compound: ethyl 1-[3-(3-{4-[(3-chlorophenyl)methoxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-8950
ethyl 1-[3-(3-{4-[(3-chlorophenyl)methoxy]phenyl}-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

V020-8950

Molecular Formula

C27H29ClN4O5 (C27 H29 ClN4 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(CCC1)CN1C(CCC1=NNC(c(cc2)ccc2OCc2cccc(Cl)c2)=NC1=O)=O)=O

InChI

InChI=1S/C27H29ClN4O5/c1-2-36-27(35)20-6-4-14-32(16-20)24(33)13-12-23-26(34)29-25(31-30-23)19-8-10-22(11-9-19)37-17-18-5-3-7-21(28)15-18/h3,5,7-11,15,20H,2,4,6,12-14,16-17H2,1H3,(H,29,31,34)/t20-/m0/s1

InChI Key

QUZTYMOXCOCHTL-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14263488

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

525

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.609

Distribution Coefficient, logD

2.668

Water Solubility, LogSw

-3.95

Polar Surface Area

90.615

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

V020-8950 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 V020-8950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-8950?
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What is the minimum amount of V020-8950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-8950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-8950
  • 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 V020-8950 available by request