D049-0312 Screening compound: 2-[(4-chlorophenoxy)methyl]-7-(4-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine

D049-0312 Screening compound: 2-[(4-chlorophenoxy)methyl]-7-(4-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
D049-0312 Screening compound: 2-[(4-chlorophenoxy)methyl]-7-(4-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D049-0312
2-[(4-chlorophenoxy)methyl]-7-(4-chlorophenyl)-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

D049-0312

Molecular Formula

C19H12Cl2N6O (C19 H12 Cl2 N6 O)

Compound Name

2-[(4-chlorophenoxy)methyl]-7-(4-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

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

SMILES

Clc(cc1)ccc1-n1ncc2c1ncn1nc(COc(cc3)ccc3Cl)nc12

InChI

InChI=1S/C19H12Cl2N6O/c20-12-1-5-14(6-2-12)27-18-16(9-23-27)19-24-17(25-26(19)11-22-18)10-28-15-7-3-13(21)4-8-15/h1-9,11H,10H2

InChI Key

GTWBABYAEXXPSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.25

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

4.510

Distribution Coefficient, logD

4.510

Water Solubility, LogSw

-4.66

Polar Surface Area

52.931

Acid Dissociation Constant (pKa)

30.70

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

D049-0312 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D049-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D049-0312?
Check Price and Availability of D049-0312, 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 D049-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D049-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D049-0312
  • 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 D049-0312 available by request