8009-3835 Screening compound: 1,4-bis({2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl})piperazine

8009-3835 Screening compound: 1,4-bis({2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl})piperazine
8009-3835 Screening compound: 1,4-bis({2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl})piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3835
1,4-bis({2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl})piperazine

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

8009-3835

Molecular Formula

C36H36N8S2 (C36 H36 N8 S2)

Compound Name

1,4-bis({2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl})piperazine

IUPAC name

14-bis({2-[(45-diphenyl-4H-124-triazol-3-yl)sulfanyl]ethyl})piperazine

SMILES

C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N1CCN(CCSc2nnc(-c3ccccc3)n2-c2ccccc2)CC1

InChI

InChI=1S/C36H36N8S2/c1-5-13-29(14-6-1)33-37-39-35(43(33)31-17-9-3-10-18-31)45-27-25-41-21-23-42(24-22-41)26-28-46-36-40-38-34(30-15-7-2-8-16-30)44(36)32-19-11-4-12-20-32/h1-20H,21-28H2

InChI Key

WBWMKGPSKDHZQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01429304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

644.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.966

Distribution Coefficient, logD

5.528

Water Solubility, LogSw

-6.19

Polar Surface Area

56.960

Acid Dissociation Constant (pKa)

26.08

Base Dissociation Constant (pKb)

7.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8009-3835 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8009-3835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3835?
Check Price and Availability of 8009-3835, 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 8009-3835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3835
  • 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 8009-3835 available by request