8019-7342 Screening compound: 5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(3-pyridyl)-4H-1,2,4-triazol-3-ylhydrosulfide

8019-7342 Screening compound: 5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(3-pyridyl)-4H-1,2,4-triazol-3-ylhydrosulfide
8019-7342 Screening compound: 5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(3-pyridyl)-4H-1,2,4-triazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7342
5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(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

8019-7342

Molecular Formula

C16H11ClN6S (C16 H11 ClN6 S)

Compound Name

5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(3-pyridyl)-4H-1,2,4-triazol-3-ylhydrosulfide

IUPAC name

n/a

SMILES

Sc1nnc(-c2cc(-c(cc3)ccc3Cl)n[nH]2)n1-c1cnccc1

InChI

InChI=1S/C16H11ClN6S/c17-11-5-3-10(4-6-11)13-8-14(20-19-13)15-21-22-16(24)23(15)12-2-1-7-18-9-12/h1-9H,(H,19,20)(H,22,24)

InChI Key

LJLKVBHKNCDUQF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.313

Distribution Coefficient, logD

2.668

Water Solubility, LogSw

-3.75

Polar Surface Area

55.465

Acid Dissociation Constant (pKa)

6.87

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8019-7342 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 8019-7342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7342?
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What is the minimum amount of 8019-7342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7342
  • 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 8019-7342 available by request