D049-0145 Screening compound: 4-[7-(2-fluorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenyl methyl ether

D049-0145 Screening compound: 4-[7-(2-fluorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenyl methyl ether
D049-0145 Screening compound: 4-[7-(2-fluorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D049-0145
4-[7-(2-fluorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-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

D049-0145

Molecular Formula

C19H13FN6O (C19 H13 FN6 O)

Compound Name

4-[7-(2-fluorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenyl methyl ether

IUPAC name

10-(2-fluorophenyl)-4-(4-methoxyphenyl)-35681011-hexaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

COc(cc1)ccc1-c1nn(cnc2c3cnn2-c(cccc2)c2F)c3n1

InChI

InChI=1S/C19H13FN6O/c1-27-13-8-6-12(7-9-13)17-23-19-14-10-22-26(16-5-3-2-4-15(16)20)18(14)21-11-25(19)24-17/h2-11H,1H3

InChI Key

OEQDMVAEHOEUNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.752

Distribution Coefficient, logD

3.748

Water Solubility, LogSw

-4.07

Polar Surface Area

51.684

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

D049-0145 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D049-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D049-0145?
Check Price and Availability of D049-0145, 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 D049-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D049-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D049-0145
  • 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 D049-0145 available by request