4072-2845 Screening compound: [8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl phenyl ether

4072-2845 Screening compound: [8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl phenyl ether
4072-2845 Screening compound: [8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl phenyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 4072-2845
[8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl phenyl 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

4072-2845

Molecular Formula

C28H22N4O4 (C28 H22 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1c(-c(cc2)ccc2OC)oc2c1c1nc(COc3ccccc3)nn1cn2

InChI

InChI=1S/C28H22N4O4/c1-33-20-12-8-18(9-13-20)24-25-27-30-23(16-35-22-6-4-3-5-7-22)31-32(27)17-29-28(25)36-26(24)19-10-14-21(34-2)15-11-19/h3-15,17H,16H2,1-2H3

InChI Key

IXYNAAVTIOEVDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03869010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.51

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

5.673

Distribution Coefficient, logD

5.672

Water Solubility, LogSw

-6.12

Polar Surface Area

61.748

Acid Dissociation Constant (pKa)

31.51

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

4072-2845 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 4072-2845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4072-2845?
Check Price and Availability of 4072-2845, 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 4072-2845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4072-2845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4072-2845
  • 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 4072-2845 available by request