8015-7398 Screening compound: 6-[4-(2-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-3(2H)-pyridazinone

8015-7398 Screening compound: 6-[4-(2-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-3(2H)-pyridazinone
8015-7398 Screening compound: 6-[4-(2-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-3(2H)-pyridazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-7398
6-[4-(2-chlorophenyl)-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

8015-7398

Molecular Formula

C12H8ClN5OS (C12 H8 ClN5 OS)

Compound Name

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

IUPAC name

6-[4-(2-chlorophenyl)-5-sulfanyl-4H-124-triazol-3-yl]-23-dihydropyridazin-3-one

SMILES

O=C(C=C1)NN=C1c(n1-c(cccc2)c2Cl)nnc1S

InChI

InChI=1S/C12H8ClN5OS/c13-7-3-1-2-4-9(7)18-11(16-17-12(18)20)8-5-6-10(19)15-14-8/h1-6H,(H,15,19)(H,17,20)

InChI Key

HEHXTDQXLGGPSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05258048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.75

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

1.894

Distribution Coefficient, logD

1.534

Water Solubility, LogSw

-2.56

Polar Surface Area

60.566

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8015-7398 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-7398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-7398?
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What is the minimum amount of 8015-7398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-7398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-7398
  • 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 8015-7398 available by request