5894-0051 Screening compound: 4-ethyl-N-(3-{5-methylimidazo[1,2-a]pyridin-2-yl}phenyl)benzene-1-sulfonamide

5894-0051 Screening compound: 4-ethyl-N-(3-{5-methylimidazo[1,2-a]pyridin-2-yl}phenyl)benzene-1-sulfonamide
5894-0051 Screening compound: 4-ethyl-N-(3-{5-methylimidazo[1,2-a]pyridin-2-yl}phenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5894-0051
4-ethyl-N-(3-{5-methylimidazo[1,2-a]pyridin-2-yl}phenyl)benzene-1-sulfonamide

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

5894-0051

Molecular Formula

C22H21N3O2S (C22 H21 N3 O2 S)

Compound Name

4-ethyl-N-(3-{5-methylimidazo[1,2-a]pyridin-2-yl}phenyl)benzene-1-sulfonamide

IUPAC name

4-ethyl-N-(3-{5-methylimidazo[12-a]pyridin-2-yl}phenyl)benzene-1-sulfonamide

SMILES

CCc(cc1)ccc1S(Nc1cc(-c2cn3c(C)cccc3n2)ccc1)(=O)=O

InChI

InChI=1S/C22H21N3O2S/c1-3-17-10-12-20(13-11-17)28(26,27)24-19-8-5-7-18(14-19)21-15-25-16(2)6-4-9-22(25)23-21/h4-15,24H,3H2,1-2H3

InChI Key

DXAUHEVVZDIROD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03731459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.271

Distribution Coefficient, logD

5.223

Water Solubility, LogSw

-5.18

Polar Surface Area

49.091

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

6.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

5894-0051 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 5894-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5894-0051?
Check Price and Availability of 5894-0051, 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 5894-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5894-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5894-0051
  • 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 5894-0051 available by request