D432-0183 Screening compound: 2-({4-benzyl-5-[2-(benzylsulfanyl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid

D432-0183 Screening compound: 2-({4-benzyl-5-[2-(benzylsulfanyl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
D432-0183 Screening compound: 2-({4-benzyl-5-[2-(benzylsulfanyl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D432-0183
2-({4-benzyl-5-[2-(benzylsulfanyl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid

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

D432-0183

Molecular Formula

C20H21N3O2S2 (C20 H21 N3 O2 S2)

Compound Name

2-({4-benzyl-5-[2-(benzylsulfanyl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid

IUPAC name

2-({4-benzyl-5-[2-(benzylsulfanyl)ethyl]-4H-124-triazol-3-yl}sulfanyl)acetic acid

SMILES

OC(CSc1nnc(CCSCc2ccccc2)n1Cc1ccccc1)=O

InChI

InChI=1S/C20H21N3O2S2/c24-19(25)15-27-20-22-21-18(23(20)13-16-7-3-1-4-8-16)11-12-26-14-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,24,25)

InChI Key

RBDBLQYPJSKDIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.271

Distribution Coefficient, logD

-0.022

Water Solubility, LogSw

-3.22

Polar Surface Area

53.601

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D432-0183 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with D432-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D432-0183?
Check Price and Availability of D432-0183, 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 D432-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D432-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D432-0183
  • 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 D432-0183 available by request