4072-2843 Screening compound: [8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl (2,6-dimethylphenyl) ether

4072-2843 Screening compound: [8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl (2,6-dimethylphenyl) ether
4072-2843 Screening compound: [8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl (2,6-dimethylphenyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 4072-2843
[8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl (2,6-dimethylphenyl) ether

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

4072-2843

Molecular Formula

C30H26N4O4 (C30 H26 N4 O4)

Compound Name

[8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl (2,6-dimethylphenyl) ether

IUPAC name

4-[(26-dimethylphenoxy)methyl]-1112-bis(4-methoxyphenyl)-10-oxa-3568-tetraazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

Cc1cccc(C)c1OCc1nn(cnc2c3c(-c(cc4)ccc4OC)c(-c(cc4)ccc4OC)o2)c3n1

InChI

InChI=1S/C30H26N4O4/c1-18-6-5-7-19(2)27(18)37-16-24-32-29-26-25(20-8-12-22(35-3)13-9-20)28(21-10-14-23(36-4)15-11-21)38-30(26)31-17-34(29)33-24/h5-15,17H,16H2,1-4H3

InChI Key

NYKXMBLYFKNUQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03284887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.661

Distribution Coefficient, logD

6.660

Water Solubility, LogSw

-6.32

Polar Surface Area

61.921

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4072-2843 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4072-2843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4072-2843?
Check Price and Availability of 4072-2843, 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 4072-2843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4072-2843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4072-2843
  • 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 4072-2843 available by request