5137-3657 Screening compound: 2-(4-fluorophenyl)-8,9-diphenylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

5137-3657 Screening compound: 2-(4-fluorophenyl)-8,9-diphenylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
5137-3657 Screening compound: 2-(4-fluorophenyl)-8,9-diphenylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5137-3657
2-(4-fluorophenyl)-8,9-diphenylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

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

5137-3657

Molecular Formula

C25H15FN4O (C25 H15 FN4 O)

Compound Name

2-(4-fluorophenyl)-8,9-diphenylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

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

SMILES

Fc(cc1)ccc1-c1nn(cnc2c3c(-c4ccccc4)c(-c4ccccc4)o2)c3n1

InChI

InChI=1S/C25H15FN4O/c26-19-13-11-18(12-14-19)23-28-24-21-20(16-7-3-1-4-8-16)22(17-9-5-2-6-10-17)31-25(21)27-15-30(24)29-23/h1-15H

InChI Key

KJILFZARLBQVNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03664562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.025

Distribution Coefficient, logD

6.022

Water Solubility, LogSw

-6.61

Polar Surface Area

38.171

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5137-3657 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

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

Human Kinases Annotated Library (2415 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)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5137-3657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5137-3657?
Check Price and Availability of 5137-3657, 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 5137-3657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5137-3657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5137-3657
  • 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 5137-3657 available by request