8017-7448 Screening compound: 6-{4-[2-chloro-5-(trifluoromethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}-3(2H)-pyridazinone

8017-7448 Screening compound: 6-{4-[2-chloro-5-(trifluoromethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}-3(2H)-pyridazinone
8017-7448 Screening compound: 6-{4-[2-chloro-5-(trifluoromethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}-3(2H)-pyridazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7448
6-{4-[2-chloro-5-(trifluoromethyl)phenyl]-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

8017-7448

Molecular Formula

C13H7ClF3N5OS (C13 H7 ClF3 N5 OS)

Compound Name

6-{4-[2-chloro-5-(trifluoromethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}-3(2H)-pyridazinone

IUPAC name

6-{4-[2-chloro-5-(trifluoromethyl)phenyl]-5-sulfanyl-4H-124-triazol-3-yl}-23-dihydropyridazin-3-one

SMILES

O=C(C=C1)NN=C1c(n1-c(cc(C(F)(F)F)cc2)c2Cl)nnc1S

InChI

InChI=1S/C13H7ClF3N5OS/c14-7-2-1-6(13(15,16)17)5-9(7)22-11(20-21-12(22)24)8-3-4-10(23)19-18-8/h1-5H,(H,19,23)(H,21,24)

InChI Key

WZESTBKAKCFIQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06608322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.780

Distribution Coefficient, logD

2.421

Water Solubility, LogSw

-3.67

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

7.69

8017-7448 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8017-7448 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8017-7448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7448
  • 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 8017-7448 available by request