C488-0889 Screening compound: 4-{3-[(2H-1,3-benzodioxol-5-yl)amino]-6-methylimidazo[1,2-a]pyridin-2-yl}phenol

C488-0889 Screening compound: 4-{3-[(2H-1,3-benzodioxol-5-yl)amino]-6-methylimidazo[1,2-a]pyridin-2-yl}phenol
C488-0889 Screening compound: 4-{3-[(2H-1,3-benzodioxol-5-yl)amino]-6-methylimidazo[1,2-a]pyridin-2-yl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound C488-0889
4-{3-[(2H-1,3-benzodioxol-5-yl)amino]-6-methylimidazo[1,2-a]pyridin-2-yl}phenol

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

C488-0889

Molecular Formula

C21H17N3O3 (C21 H17 N3 O3)

Compound Name

4-{3-[(2H-1,3-benzodioxol-5-yl)amino]-6-methylimidazo[1,2-a]pyridin-2-yl}phenol

IUPAC name

4-{3-[(2H-13-benzodioxol-5-yl)amino]-6-methylimidazo[12-a]pyridin-2-yl}phenol

SMILES

Cc1cn2c(Nc(cc3)cc4c3OCO4)c(-c(cc3)ccc3O)nc2cc1

InChI

InChI=1S/C21H17N3O3/c1-13-2-9-19-23-20(14-3-6-16(25)7-4-14)21(24(19)11-13)22-15-5-8-17-18(10-15)27-12-26-17/h2-11,22,25H,12H2,1H3

InChI Key

VEZNIGFZBHOYSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08682787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.318

Distribution Coefficient, logD

4.307

Water Solubility, LogSw

-4.22

Polar Surface Area

52.304

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

C488-0889 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with C488-0889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C488-0889?
Check Price and Availability of C488-0889, 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 C488-0889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C488-0889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C488-0889
  • 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 C488-0889 available by request