D049-0195 Screening compound: [7-(2-bromophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl (4-chlorophenyl) ether

D049-0195 Screening compound: [7-(2-bromophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl (4-chlorophenyl) ether
D049-0195 Screening compound: [7-(2-bromophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl (4-chlorophenyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D049-0195
[7-(2-bromophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl (4-chlorophenyl) 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

D049-0195

Molecular Formula

C19H12BrClN6O (C19 H12 BrClN6 O)

Compound Name

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

IUPAC name

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

SMILES

Clc(cc1)ccc1OCc1nn(cnc2c3cnn2-c(cccc2)c2Br)c3n1

InChI

InChI=1S/C19H12BrClN6O/c20-15-3-1-2-4-16(15)27-18-14(9-23-27)19-24-17(25-26(19)11-22-18)10-28-13-7-5-12(21)6-8-13/h1-9,11H,10H2

InChI Key

DCHUJPZNQXSIBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.7

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

4.439

Distribution Coefficient, logD

4.439

Water Solubility, LogSw

-4.58

Polar Surface Area

52.630

Acid Dissociation Constant (pKa)

30.70

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

D049-0195 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 D049-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D049-0195?
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What is the minimum amount of D049-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D049-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D049-0195
  • 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 D049-0195 available by request