5506-0260 Screening compound: 2-[(2-isopropyl-5-methylphenoxy)methyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine

5506-0260 Screening compound: 2-[(2-isopropyl-5-methylphenoxy)methyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
5506-0260 Screening compound: 2-[(2-isopropyl-5-methylphenoxy)methyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5506-0260
2-[(2-isopropyl-5-methylphenoxy)methyl]-7-phenyl-7H-pyrazolo[4,3-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

5506-0260

Molecular Formula

C23H22N6O (C23 H22 N6 O)

Compound Name

2-[(2-isopropyl-5-methylphenoxy)methyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

4-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-10-phenyl-35681011-hexaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

CC(C)c(ccc(C)c1)c1OCc1nn(cnc2c3cnn2-c2ccccc2)c3n1

InChI

InChI=1S/C23H22N6O/c1-15(2)18-10-9-16(3)11-20(18)30-13-21-26-23-19-12-25-29(17-7-5-4-6-8-17)22(19)24-14-28(23)27-21/h4-12,14-15H,13H2,1-3H3

InChI Key

HWUAXDKUCHEWQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04021468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.981

Distribution Coefficient, logD

4.981

Water Solubility, LogSw

-4.59

Polar Surface Area

53.018

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

5506-0260 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 5506-0260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5506-0260?
Check Price and Availability of 5506-0260, 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 5506-0260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5506-0260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5506-0260
  • 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 5506-0260 available by request