V029-7664 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-{4-[(3-methoxyphenyl)methoxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)-N-methylpropanamide

V029-7664 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-{4-[(3-methoxyphenyl)methoxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)-N-methylpropanamide
V029-7664 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-{4-[(3-methoxyphenyl)methoxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)-N-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-7664
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-{4-[(3-methoxyphenyl)methoxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)-N-methylpropanamide

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

V029-7664

Molecular Formula

C31H34N4O6 (C31 H34 N4 O6)

Compound Name

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

IUPAC name

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

SMILES

CN(CCc(cc1)cc(OC)c1OC)C(CCC1=NNC(c(cc2)ccc2OCc2cc(OC)ccc2)=NC1=O)=O

InChI

InChI=1S/C31H34N4O6/c1-35(17-16-21-8-14-27(39-3)28(19-21)40-4)29(36)15-13-26-31(37)32-30(34-33-26)23-9-11-24(12-10-23)41-20-22-6-5-7-25(18-22)38-2/h5-12,14,18-19H,13,15-17,20H2,1-4H3,(H,32,34,37)

InChI Key

PTSBIQULLHUYKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14516231

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

558.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.451

Distribution Coefficient, logD

2.509

Water Solubility, LogSw

-3.78

Polar Surface Area

92.213

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

V029-7664 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V029-7664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-7664?
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What is the minimum amount of V029-7664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-7664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-7664
  • 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 V029-7664 available by request