C713-0288 Screening compound: (3-chlorophenyl){4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazino}methanone

C713-0288 Screening compound: (3-chlorophenyl){4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazino}methanone
C713-0288 Screening compound: (3-chlorophenyl){4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazino}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C713-0288
(3-chlorophenyl){4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazino}methanone

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

C713-0288

Molecular Formula

C22H18ClFN6O (C22 H18 ClFN6 O)

Compound Name

(3-chlorophenyl){4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazino}methanone

IUPAC name

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

SMILES

O=C(c1cccc(Cl)c1)N(CC1)CCN1c1nn2c(-c(cc3)ccc3F)nnc2cc1

InChI

InChI=1S/C22H18ClFN6O/c23-17-3-1-2-16(14-17)22(31)29-12-10-28(11-13-29)20-9-8-19-25-26-21(30(19)27-20)15-4-6-18(24)7-5-15/h1-9,14H,10-13H2

InChI Key

IULLJWBYGYLJFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.88

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

3.769

Distribution Coefficient, logD

3.769

Water Solubility, LogSw

-4.30

Polar Surface Area

51.769

Acid Dissociation Constant (pKa)

23.87

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

References: we are preparing a list of scientific research reports with C713-0288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C713-0288?
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What is the minimum amount of C713-0288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C713-0288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C713-0288
  • 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 C713-0288 available by request