Y503-1836 Screening compound: 5-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-ylhydrosulfide

Y503-1836 Screening compound: 5-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-ylhydrosulfide
Y503-1836 Screening compound: 5-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-1836
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-[3,5-dimethyl-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

Y503-1836

Molecular Formula

C19H20BrN7S (C19 H20 BrN7 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(n(Cc1ccc(C)cc1)nc1C)c1-n1c(S)nnc1Cn1ncc(Br)c1

InChI

InChI=1S/C19H20BrN7S/c1-12-4-6-15(7-5-12)9-26-14(3)18(13(2)24-26)27-17(22-23-19(27)28)11-25-10-16(20)8-21-25/h4-8,10H,9,11H2,1-3H3,(H,23,28)

InChI Key

FTOYOQRQZWDHFQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.38

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

2.196

Distribution Coefficient, logD

-0.319

Water Solubility, LogSw

-1.91

Polar Surface Area

52.891

Acid Dissociation Constant (pKa)

4.89

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

Y503-1836 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 Y503-1836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-1836?
Check Price and Availability of Y503-1836, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y503-1836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-1836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-1836
  • 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 Y503-1836 available by request