C273-0481 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyridin-3-amine

C273-0481 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyridin-3-amine
C273-0481 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyridin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C273-0481
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyridin-3-amine

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

C273-0481

Molecular Formula

C23H21N3O2S (C23 H21 N3 O2 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyridin-3-amine

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-8-methyl-2-[4-(methylsulfanyl)phenyl]imidazo[12-a]pyridin-3-amine

SMILES

Cc1cccn2c1nc(-c(cc1)ccc1SC)c2Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C23H21N3O2S/c1-15-4-3-11-26-22(15)25-21(16-5-8-18(29-2)9-6-16)23(26)24-17-7-10-19-20(14-17)28-13-12-27-19/h3-11,14,24H,12-13H2,1-2H3

InChI Key

SFCQCCCVGXICID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09694750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.643

Distribution Coefficient, logD

4.537

Water Solubility, LogSw

-4.44

Polar Surface Area

34.048

Acid Dissociation Constant (pKa)

19.89

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C273-0481 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C273-0481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C273-0481?
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What is the minimum amount of C273-0481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C273-0481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C273-0481
  • 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 C273-0481 available by request