T494-0623 Screening compound: 4-({3-ethyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}sulfonyl)benzonitrile

T494-0623 Screening compound: 4-({3-ethyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}sulfonyl)benzonitrile
T494-0623 Screening compound: 4-({3-ethyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}sulfonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound T494-0623
4-({3-ethyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}sulfonyl)benzonitrile

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

T494-0623

Molecular Formula

C15H16N4O2S (C15 H16 N4 O2 S)

Compound Name

4-({3-ethyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}sulfonyl)benzonitrile

IUPAC name

4-({3-ethyl-3H4H5H6H7H-imidazo[45-c]pyridin-5-yl}sulfonyl)benzonitrile

SMILES

CCn1c(CN(CC2)S(c(cc3)ccc3C#N)(=O)=O)c2nc1

InChI

InChI=1S/C15H16N4O2S/c1-2-18-11-17-14-7-8-19(10-15(14)18)22(20,21)13-5-3-12(9-16)4-6-13/h3-6,11H,2,7-8,10H2,1H3

InChI Key

QPSBBXMSRKPOTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27621948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.067

Distribution Coefficient, logD

0.995

Water Solubility, LogSw

-2.32

Polar Surface Area

60.845

Acid Dissociation Constant (pKa)

24.84

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

T494-0623 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T494-0623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T494-0623?
Check Price and Availability of T494-0623, 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 T494-0623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T494-0623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T494-0623
  • 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 T494-0623 available by request