4072-2850 Screening compound: 4-[8-(4-methoxyphenyl)-2-(2-methylphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]phenyl methyl ether

4072-2850 Screening compound: 4-[8-(4-methoxyphenyl)-2-(2-methylphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]phenyl methyl ether
4072-2850 Screening compound: 4-[8-(4-methoxyphenyl)-2-(2-methylphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 4072-2850
4-[8-(4-methoxyphenyl)-2-(2-methylphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]phenyl methyl 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

4072-2850

Molecular Formula

C28H22N4O3 (C28 H22 N4 O3)

Compound Name

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

IUPAC name

1112-bis(4-methoxyphenyl)-4-(2-methylphenyl)-10-oxa-3568-tetraazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

Cc(cccc1)c1-c1nn(cnc2c3c(-c(cc4)ccc4OC)c(-c(cc4)ccc4OC)o2)c3n1

InChI

InChI=1S/C28H22N4O3/c1-17-6-4-5-7-22(17)26-30-27-24-23(18-8-12-20(33-2)13-9-18)25(19-10-14-21(34-3)15-11-19)35-28(24)29-16-32(27)31-26/h4-16H,1-3H3

InChI Key

UIXSWLJNXOKECO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.254

Distribution Coefficient, logD

6.252

Water Solubility, LogSw

-6.06

Polar Surface Area

53.258

Acid Dissociation Constant (pKa)

28.18

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

4072-2850 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 4072-2850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4072-2850?
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What is the minimum amount of 4072-2850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4072-2850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4072-2850
  • 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 4072-2850 available by request