Y503-1147 Screening compound: 4-[1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-ylhydrosulfide

Y503-1147 Screening compound: 4-[1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-ylhydrosulfide
Y503-1147 Screening compound: 4-[1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-1147
4-[1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-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

Y503-1147

Molecular Formula

C20H21Cl2N7S (C20 H21 Cl2 N7 S)

Compound Name

4-[1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-ylhydrosulfide

IUPAC name

4-{1-[(26-dichlorophenyl)methyl]-35-dimethyl-1H-pyrazol-4-yl}-5-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-4H-124-triazole-3-thiol

SMILES

Cc1cn(CCc(n2-c3c(C)n(Cc(c(Cl)ccc4)c4Cl)nc3C)nnc2S)nc1

InChI

InChI=1S/C20H21Cl2N7S/c1-12-9-23-27(10-12)8-7-18-24-25-20(30)29(18)19-13(2)26-28(14(19)3)11-15-16(21)5-4-6-17(15)22/h4-6,9-10H,7-8,11H2,1-3H3,(H,25,30)

InChI Key

UTDIIOSJYGSEOM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.974

Distribution Coefficient, logD

0.458

Water Solubility, LogSw

-3.40

Polar Surface Area

52.869

Acid Dissociation Constant (pKa)

2.21

Base Dissociation Constant (pKb)

7.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with Y503-1147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-1147?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-1147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-1147
  • 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 Y503-1147 available by request