8019-7476 Screening compound: 4-[(E)-2-(3,4-dimethoxyphenyl)-1-ethenyl][1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

8019-7476 Screening compound: 4-[(E)-2-(3,4-dimethoxyphenyl)-1-ethenyl][1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine
8019-7476 Screening compound: 4-[(E)-2-(3,4-dimethoxyphenyl)-1-ethenyl][1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7476
4-[(E)-2-(3,4-dimethoxyphenyl)-1-ethenyl][1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

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

8019-7476

Molecular Formula

C19H17N5O2 (C19 H17 N5 O2)

Compound Name

4-[(E)-2-(3,4-dimethoxyphenyl)-1-ethenyl][1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine

IUPAC name

13-[(1E)-2-(34-dimethoxyphenyl)ethenyl]-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-24681012-hexaen-11-amine

SMILES

COc(ccc(/C=C/c1nc(N)nc2nc(cccc3)c3n12)c1)c1OC

InChI

InChI=1S/C19H17N5O2/c1-25-15-9-7-12(11-16(15)26-2)8-10-17-22-18(20)23-19-21-13-5-3-4-6-14(13)24(17)19/h3-11H,1-2H3,(H2,20,21,23)

InChI Key

UMQUAWQMMJIBMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09457226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.173

Distribution Coefficient, logD

3.173

Water Solubility, LogSw

-3.18

Polar Surface Area

64.062

Acid Dissociation Constant (pKa)

19.49

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

8019-7476 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

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

CORONAVIRUS Library (20774 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8019-7476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7476?
Check Price and Availability of 8019-7476, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8019-7476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7476
  • 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 8019-7476 available by request