D049-0340 Screening compound: 2,6-dimethylphenyl {[7-(3,4-dimethylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl} ether

D049-0340 Screening compound: 2,6-dimethylphenyl {[7-(3,4-dimethylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl} ether
D049-0340 Screening compound: 2,6-dimethylphenyl {[7-(3,4-dimethylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl} ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D049-0340
2,6-dimethylphenyl {[7-(3,4-dimethylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]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

D049-0340

Molecular Formula

C23H22N6O (C23 H22 N6 O)

Compound Name

2,6-dimethylphenyl {[7-(3,4-dimethylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl} ether

IUPAC name

4-[(26-dimethylphenoxy)methyl]-10-(34-dimethylphenyl)-35681011-hexaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

Cc(cc1)c(C)cc1-n1ncc2c1ncn1nc(COc3c(C)cccc3C)nc12

InChI

InChI=1S/C23H22N6O/c1-14-8-9-18(10-17(14)4)29-22-19(11-25-29)23-26-20(27-28(23)13-24-22)12-30-21-15(2)6-5-7-16(21)3/h5-11,13H,12H2,1-4H3

InChI Key

DGUCRZAAMGHSGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811619

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

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.408

Distribution Coefficient, logD

5.406

Water Solubility, LogSw

-5.57

Polar Surface Area

53.104

Acid Dissociation Constant (pKa)

27.62

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D049-0340 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D049-0340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D049-0340?
Check Price and Availability of D049-0340, 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 D049-0340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D049-0340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D049-0340
  • 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 D049-0340 available by request