8017-7446 Screening compound: 6-[4-(3-chloro-4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-3(2H)-pyridazinone

8017-7446 Screening compound: 6-[4-(3-chloro-4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-3(2H)-pyridazinone
8017-7446 Screening compound: 6-[4-(3-chloro-4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-3(2H)-pyridazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7446
6-[4-(3-chloro-4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-3(2H)-pyridazinone

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

8017-7446

Molecular Formula

C12H7ClFN5OS (C12 H7 ClFN5 OS)

Compound Name

6-[4-(3-chloro-4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-3(2H)-pyridazinone

IUPAC name

6-[4-(3-chloro-4-fluorophenyl)-5-sulfanyl-4H-124-triazol-3-yl]-23-dihydropyridazin-3-one

SMILES

O=C(C=C1)NN=C1c(n1-c(cc2)cc(Cl)c2F)nnc1S

InChI

InChI=1S/C12H7ClFN5OS/c13-7-5-6(1-2-8(7)14)19-11(17-18-12(19)21)9-3-4-10(20)16-15-9/h1-5H,(H,16,20)(H,18,21)

InChI Key

FLZZTUOYXMSHAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06607260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.74

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.067

Distribution Coefficient, logD

1.919

Water Solubility, LogSw

-3.03

Polar Surface Area

60.867

Acid Dissociation Constant (pKa)

7.79

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8017-7446 in Drug Discovery

Included in Screening Libraries

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

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-7446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7446?
Check Price and Availability of 8017-7446, 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 8017-7446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7446
  • 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 8017-7446 available by request