C713-0248 Screening compound: N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]tetrahydro-1(2H)-pyrazinecarboxamide

C713-0248 Screening compound: N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]tetrahydro-1(2H)-pyrazinecarboxamide
C713-0248 Screening compound: N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C713-0248
N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]tetrahydro-1(2H)-pyrazinecarboxamide

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

C713-0248

Molecular Formula

C22H19ClFN7O (C22 H19 ClFN7 O)

Compound Name

N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

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

SMILES

O=C(Nc(cc1)ccc1Cl)N(CC1)CCN1c1nn2c(-c(cc3)ccc3F)nnc2cc1

InChI

InChI=1S/C22H19ClFN7O/c23-16-3-7-18(8-4-16)25-22(32)30-13-11-29(12-14-30)20-10-9-19-26-27-21(31(19)28-20)15-1-5-17(24)6-2-15/h1-10H,11-14H2,(H,25,32)

InChI Key

WEMJSDFAPHPUEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.145

Distribution Coefficient, logD

4.145

Water Solubility, LogSw

-4.56

Polar Surface Area

60.590

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

C713-0248 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C713-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C713-0248?
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What is the minimum amount of C713-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C713-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C713-0248
  • 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 C713-0248 available by request