Y502-9806 Screening compound: 4-(1-benzyl-1H-pyrazol-4-yl)-5-[1-(methylsulfonyl)-3-piperidyl]-4H-1,2,4-triazol-3-ylhydrosulfide

Y502-9806 Screening compound: 4-(1-benzyl-1H-pyrazol-4-yl)-5-[1-(methylsulfonyl)-3-piperidyl]-4H-1,2,4-triazol-3-ylhydrosulfide
Y502-9806 Screening compound: 4-(1-benzyl-1H-pyrazol-4-yl)-5-[1-(methylsulfonyl)-3-piperidyl]-4H-1,2,4-triazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-9806
4-(1-benzyl-1H-pyrazol-4-yl)-5-[1-(methylsulfonyl)-3-piperidyl]-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

Y502-9806

Molecular Formula

C18H22N6O2S2 (C18 H22 N6 O2 S2)

Compound Name

4-(1-benzyl-1H-pyrazol-4-yl)-5-[1-(methylsulfonyl)-3-piperidyl]-4H-1,2,4-triazol-3-ylhydrosulfide

IUPAC name

4-(1-benzyl-1H-pyrazol-4-yl)-5-(1-methanesulfonylpiperidin-3-yl)-4H-124-triazole-3-thiol

SMILES

CS(N(CCC1)CC1c(n1-c2cn(Cc3ccccc3)nc2)nnc1S)(=O)=O

InChI

InChI=1S/C18H22N6O2S2/c1-28(25,26)23-9-5-8-15(12-23)17-20-21-18(27)24(17)16-10-19-22(13-16)11-14-6-3-2-4-7-14/h2-4,6-7,10,13,15H,5,8-9,11-12H2,1H3,(H,21,27)/t15-/m0/s1

InChI Key

NULKUNUGFCVDKC-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.172

Distribution Coefficient, logD

0.495

Water Solubility, LogSw

-2.07

Polar Surface Area

69.372

Acid Dissociation Constant (pKa)

6.83

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

Y502-9806 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 Y502-9806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-9806?
Check Price and Availability of Y502-9806, 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 Y502-9806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-9806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-9806
  • 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 Y502-9806 available by request