4555-0931 Screening compound: 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridine

4555-0931 Screening compound: 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridine
4555-0931 Screening compound: 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4555-0931
3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridine

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

4555-0931

Molecular Formula

C13H9Cl2N3S (C13 H9 Cl2 N3 S)

Compound Name

3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridine

IUPAC name

3-{[(34-dichlorophenyl)methyl]sulfanyl}-[124]triazolo[43-a]pyridine

SMILES

Clc(ccc(CSc1nnc2n1cccc2)c1)c1Cl

InChI

InChI=1S/C13H9Cl2N3S/c14-10-5-4-9(7-11(10)15)8-19-13-17-16-12-3-1-2-6-18(12)13/h1-7H,8H2

InChI Key

QTXSKPSZMSWSQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03230922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.21

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.876

Distribution Coefficient, logD

3.876

Water Solubility, LogSw

-4.14

Polar Surface Area

22.159

Acid Dissociation Constant (pKa)

22.84

Base Dissociation Constant (pKb)

-6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

4555-0931 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4555-0931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4555-0931?
Check Price and Availability of 4555-0931, 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 4555-0931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4555-0931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4555-0931
  • 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 4555-0931 available by request