5137-3662 Screening compound: 4-[8-(4-methoxyphenyl)-2-(3-methylphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]phenyl methyl ether

5137-3662 Screening compound: 4-[8-(4-methoxyphenyl)-2-(3-methylphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]phenyl methyl ether
5137-3662 Screening compound: 4-[8-(4-methoxyphenyl)-2-(3-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 5137-3662
4-[8-(4-methoxyphenyl)-2-(3-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

5137-3662

Molecular Formula

C28H22N4O3 (C28 H22 N4 O3)

Compound Name

4-[8-(4-methoxyphenyl)-2-(3-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-(3-methylphenyl)-10-oxa-3568-tetraazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

Cc1cccc(-c2nn(cnc3c4c(-c(cc5)ccc5OC)c(-c(cc5)ccc5OC)o3)c4n2)c1

InChI

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

InChI Key

HRPCFXBJLVQXHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03666867

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

6.540

Distribution Coefficient, logD

6.537

Water Solubility, LogSw

-6.22

Polar Surface Area

53.258

Acid Dissociation Constant (pKa)

27.89

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

5137-3662 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 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 5137-3662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5137-3662?
Check Price and Availability of 5137-3662, 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 5137-3662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5137-3662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5137-3662
  • 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 5137-3662 available by request