D049-0216 Screening compound: 4-{[7-(3-bromophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}-2-methoxyphenyl methyl ether

D049-0216 Screening compound: 4-{[7-(3-bromophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}-2-methoxyphenyl methyl ether
D049-0216 Screening compound: 4-{[7-(3-bromophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}-2-methoxyphenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D049-0216
4-{[7-(3-bromophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}-2-methoxyphenyl 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

D049-0216

Molecular Formula

C21H17BrN6O2 (C21 H17 BrN6 O2)

Compound Name

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

IUPAC name

10-(3-bromophenyl)-4-[(34-dimethoxyphenyl)methyl]-35681011-hexaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

COc(ccc(Cc1nn(cnc2c3cnn2-c2cccc(Br)c2)c3n1)c1)c1OC

InChI

InChI=1S/C21H17BrN6O2/c1-29-17-7-6-13(8-18(17)30-2)9-19-25-21-16-11-24-28(15-5-3-4-14(22)10-15)20(16)23-12-27(21)26-19/h3-8,10-12H,9H2,1-2H3

InChI Key

JNRSJDXJYHELHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.943

Distribution Coefficient, logD

3.935

Water Solubility, LogSw

-4.05

Polar Surface Area

60.693

Acid Dissociation Constant (pKa)

28.61

Base Dissociation Constant (pKb)

5.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D049-0216 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with D049-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D049-0216?
Check Price and Availability of D049-0216, 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 D049-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D049-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D049-0216
  • 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 D049-0216 available by request