8017-7451 Screening compound: 4-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3-pyridyl)-4H-1,2,4-triazol-3-ylhydrosulfide

8017-7451 Screening compound: 4-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3-pyridyl)-4H-1,2,4-triazol-3-ylhydrosulfide
8017-7451 Screening compound: 4-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3-pyridyl)-4H-1,2,4-triazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7451
4-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3-pyridyl)-4H-1,2,4-triazol-3-ylhydrosulfide

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

8017-7451

Molecular Formula

C14H8ClF3N4S (C14 H8 ClF3 N4 S)

Compound Name

4-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3-pyridyl)-4H-1,2,4-triazol-3-ylhydrosulfide

IUPAC name

4-[2-chloro-5-(trifluoromethyl)phenyl]-5-(pyridin-3-yl)-4H-124-triazole-3-thiol

SMILES

FC(c(cc1)cc(-n2c(S)nnc2-c2cnccc2)c1Cl)(F)F

InChI

InChI=1S/C14H8ClF3N4S/c15-10-4-3-9(14(16,17)18)6-11(10)22-12(20-21-13(22)23)8-2-1-5-19-7-8/h1-7H,(H,21,23)

InChI Key

CVDMUTBHORLFTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06593064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.113

Distribution Coefficient, logD

1.143

Water Solubility, LogSw

-3.51

Polar Surface Area

32.675

Acid Dissociation Constant (pKa)

5.43

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

8017-7451 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 8017-7451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7451?
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What is the minimum amount of 8017-7451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7451
  • 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 8017-7451 available by request