D049-0117 Screening compound: 2-[(5-isopropyl-2-methylphenoxy)methyl]-7-(4-methoxyphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine

D049-0117 Screening compound: 2-[(5-isopropyl-2-methylphenoxy)methyl]-7-(4-methoxyphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
D049-0117 Screening compound: 2-[(5-isopropyl-2-methylphenoxy)methyl]-7-(4-methoxyphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D049-0117
2-[(5-isopropyl-2-methylphenoxy)methyl]-7-(4-methoxyphenyl)-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

D049-0117

Molecular Formula

C24H24N6O2 (C24 H24 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1cc(OCc2nn(cnc3c4cnn3-c(cc3)ccc3OC)c4n2)c(C)cc1

InChI

InChI=1S/C24H24N6O2/c1-15(2)17-6-5-16(3)21(11-17)32-13-22-27-24-20-12-26-30(23(20)25-14-29(24)28-22)18-7-9-19(31-4)10-8-18/h5-12,14-15H,13H2,1-4H3

InChI Key

PDZMUQIYPCGJLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.152

Distribution Coefficient, logD

5.152

Water Solubility, LogSw

-5.14

Polar Surface Area

60.562

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D049-0117 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D049-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D049-0117?
Check Price and Availability of D049-0117, 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 D049-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D049-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D049-0117
  • 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 D049-0117 available by request