C713-0270 Screening compound: 1-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-4-(4-methoxybenzenesulfonyl)piperazine

C713-0270 Screening compound: 1-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-4-(4-methoxybenzenesulfonyl)piperazine
C713-0270 Screening compound: 1-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-4-(4-methoxybenzenesulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C713-0270
1-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-4-(4-methoxybenzenesulfonyl)piperazine

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

C713-0270

Molecular Formula

C22H21FN6O3S (C22 H21 FN6 O3 S)

Compound Name

1-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-4-(4-methoxybenzenesulfonyl)piperazine

IUPAC name

1-[3-(4-fluorophenyl)-[124]triazolo[43-b]pyridazin-6-yl]-4-(4-methoxybenzenesulfonyl)piperazine

SMILES

COc(cc1)ccc1S(N(CC1)CCN1c1nn2c(-c(cc3)ccc3F)nnc2cc1)(=O)=O

InChI

InChI=1S/C22H21FN6O3S/c1-32-18-6-8-19(9-7-18)33(30,31)28-14-12-27(13-15-28)21-11-10-20-24-25-22(29(20)26-21)16-2-4-17(23)5-3-16/h2-11H,12-15H2,1H3

InChI Key

OFTKNTOJNCGCOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.444

Distribution Coefficient, logD

3.444

Water Solubility, LogSw

-3.71

Polar Surface Area

74.376

Acid Dissociation Constant (pKa)

23.75

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C713-0270 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C713-0270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C713-0270?
Check Price and Availability of C713-0270, 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 C713-0270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C713-0270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C713-0270
  • 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 C713-0270 available by request