D049-0282 Screening compound: 4-[7-(2-ethylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenyl methyl ether

D049-0282 Screening compound: 4-[7-(2-ethylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenyl methyl ether
D049-0282 Screening compound: 4-[7-(2-ethylphenyl)-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 D049-0282
4-[7-(2-ethylphenyl)-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

D049-0282

Molecular Formula

C21H18N6O (C21 H18 N6 O)

Compound Name

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

IUPAC name

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

SMILES

CCc(cccc1)c1-n1ncc2c1ncn1nc(-c(cc3)ccc3OC)nc12

InChI

InChI=1S/C21H18N6O/c1-3-14-6-4-5-7-18(14)27-20-17(12-23-27)21-24-19(25-26(21)13-22-20)15-8-10-16(28-2)11-9-15/h4-13H,3H2,1-2H3

InChI Key

VNJLEOQQFDXXDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.41

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

4.528

Distribution Coefficient, logD

4.525

Water Solubility, LogSw

-4.18

Polar Surface Area

51.684

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D049-0282 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D049-0282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D049-0282?
Check Price and Availability of D049-0282, 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 D049-0282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D049-0282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D049-0282
  • 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 D049-0282 available by request