Y501-8219 Screening compound: 5-[2-(4-chlorophenyl)cyclopropyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-ylhydrosulfide

Y501-8219 Screening compound: 5-[2-(4-chlorophenyl)cyclopropyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-ylhydrosulfide

Chemical Structure Depiction of ChemDiv screening compound Y501-8219
5-[2-(4-chlorophenyl)cyclopropyl]-4-(4-methoxyphenyl)-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

Y501-8219

Molecular Formula

C18H16ClN3OS (C18 H16 ClN3 OS)

Compound Name

5-[2-(4-chlorophenyl)cyclopropyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-ylhydrosulfide

IUPAC name

5-[2-(4-chlorophenyl)cyclopropyl]-4-(4-methoxyphenyl)-4H-124-triazole-3-thiol

SMILES

COc(cc1)ccc1-n1c(S)nnc1C(C1)C1c(cc1)ccc1Cl

InChI

InChI=1S/C18H16ClN3OS/c1-23-14-8-6-13(7-9-14)22-17(20-21-18(22)24)16-10-15(16)11-2-4-12(19)5-3-11/h2-9,15-16H,10H2,1H3,(H,21,24)

InChI Key

QKLMFWKDGOWBSV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.357

Distribution Coefficient, logD

2.599

Water Solubility, LogSw

-4.82

Polar Surface Area

31.253

Acid Dissociation Constant (pKa)

5.65

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.22

Y501-8219 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 Y501-8219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-8219?
Check Price and Availability of Y501-8219, 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 Y501-8219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-8219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-8219
  • 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 Y501-8219 available by request