V001-0810 Screening compound: 3-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2,5-dihydro-1,2,4-triazin-5-one

V001-0810 Screening compound: 3-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2,5-dihydro-1,2,4-triazin-5-one
V001-0810 Screening compound: 3-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2,5-dihydro-1,2,4-triazin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-0810
3-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2,5-dihydro-1,2,4-triazin-5-one

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

V001-0810

Molecular Formula

C26H29ClN4O4 (C26 H29 ClN4 O4)

Compound Name

3-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2,5-dihydro-1,2,4-triazin-5-one

IUPAC name

3-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-25-dihydro-124-triazin-5-one

SMILES

CC(CC1)CCN1C(CCC1=NNC(c(cc2)cc(OC)c2OCc(cccc2)c2Cl)=NC1=O)=O

InChI

InChI=1S/C26H29ClN4O4/c1-17-11-13-31(14-12-17)24(32)10-8-21-26(33)28-25(30-29-21)18-7-9-22(23(15-18)34-2)35-16-19-5-3-4-6-20(19)27/h3-7,9,15,17H,8,10-14,16H2,1-2H3,(H,28,30,33)

InChI Key

MSUHUEOBOFLYEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14264280

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

496.99

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.402

Distribution Coefficient, logD

3.402

Water Solubility, LogSw

-3.88

Polar Surface Area

77.645

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

V001-0810 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V001-0810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-0810?
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What is the minimum amount of V001-0810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-0810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-0810
  • 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 V001-0810 available by request