Y503-1142 Screening compound: 5-[1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-ylhydrosulfide

Y503-1142 Screening compound: 5-[1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-ylhydrosulfide
Y503-1142 Screening compound: 5-[1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-1142
5-[1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-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

Y503-1142

Molecular Formula

C20H22ClN7S (C20 H22 ClN7 S)

Compound Name

5-[1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-ylhydrosulfide

IUPAC name

5-[1-(4-chloro-35-dimethyl-1H-pyrazol-1-yl)ethyl]-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-124-triazole-3-thiol

SMILES

CC(c(n1-c2cn(Cc3ccc(C)cc3)nc2)nnc1S)n1nc(C)c(Cl)c1C

InChI

InChI=1S/C20H22ClN7S/c1-12-5-7-16(8-6-12)10-26-11-17(9-22-26)27-19(23-24-20(27)29)15(4)28-14(3)18(21)13(2)25-28/h5-9,11,15H,10H2,1-4H3,(H,24,29)/t15-/m0/s1

InChI Key

YLPQRNKEAFRJPX-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.920

Distribution Coefficient, logD

2.243

Water Solubility, LogSw

-3.54

Polar Surface Area

52.605

Acid Dissociation Constant (pKa)

6.83

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

Y503-1142 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y503-1142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-1142?
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What is the minimum amount of Y503-1142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-1142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-1142
  • 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 Y503-1142 available by request