4072-2848 Screening compound: 2-[8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1-naphthol

4072-2848 Screening compound: 2-[8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1-naphthol
4072-2848 Screening compound: 2-[8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1-naphthol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4072-2848
2-[8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1-naphthol

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

4072-2848

Molecular Formula

C31H22N4O4 (C31 H22 N4 O4)

Compound Name

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

IUPAC name

2-[1112-bis(4-methoxyphenyl)-10-oxa-3568-tetraazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaen-4-yl]naphthalen-1-ol

SMILES

COc(cc1)ccc1-c1c(-c(cc2)ccc2OC)oc2c1c1nc(-c(ccc3ccccc33)c3O)nn1cn2

InChI

InChI=1S/C31H22N4O4/c1-37-21-12-7-19(8-13-21)25-26-30-33-29(24-16-11-18-5-3-4-6-23(18)27(24)36)34-35(30)17-32-31(26)39-28(25)20-9-14-22(38-2)15-10-20/h3-17,36H,1-2H3

InChI Key

YCUFXIUJLGXAEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06759071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.922

Distribution Coefficient, logD

6.877

Water Solubility, LogSw

-6.87

Polar Surface Area

68.466

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.50

4072-2848 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4072-2848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4072-2848?
Check Price and Availability of 4072-2848, 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 4072-2848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4072-2848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4072-2848
  • 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 4072-2848 available by request