8020-0996 Screening compound: 2-{4-phenyl-6-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,5-triazin-2-yl}phenol

8020-0996 Screening compound: 2-{4-phenyl-6-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,5-triazin-2-yl}phenol
8020-0996 Screening compound: 2-{4-phenyl-6-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,5-triazin-2-yl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0996
2-{4-phenyl-6-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,5-triazin-2-yl}phenol

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

8020-0996

Molecular Formula

C26H23N3O4 (C26 H23 N3 O4)

Compound Name

2-{4-phenyl-6-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,5-triazin-2-yl}phenol

IUPAC name

2-{4-phenyl-6-[(1E)-2-(345-trimethoxyphenyl)ethenyl]-135-triazin-2-yl}phenol

SMILES

COc1cc(/C=C/c2nc(-c(cccc3)c3O)nc(-c3ccccc3)n2)cc(OC)c1OC

InChI

InChI=1S/C26H23N3O4/c1-31-21-15-17(16-22(32-2)24(21)33-3)13-14-23-27-25(18-9-5-4-6-10-18)29-26(28-23)19-11-7-8-12-20(19)30/h4-16,30H,1-3H3

InChI Key

NGZLIDHLUFMVIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12035009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.624

Distribution Coefficient, logD

5.621

Water Solubility, LogSw

-5.36

Polar Surface Area

69.807

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

8020-0996 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

Autophagy-Targeted Library (4564 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8020-0996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0996?
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What is the minimum amount of 8020-0996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0996
  • 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 8020-0996 available by request