C488-0602 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-7-methyl-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyridin-3-amine

C488-0602 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-7-methyl-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyridin-3-amine
C488-0602 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-7-methyl-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyridin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C488-0602
N-(2H-1,3-benzodioxol-5-yl)-7-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

C488-0602

Molecular Formula

C22H19N3O2S (C22 H19 N3 O2 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-7-methyl-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyridin-3-amine

IUPAC name

N-(2H-13-benzodioxol-5-yl)-7-methyl-2-[4-(methylsulfanyl)phenyl]imidazo[12-a]pyridin-3-amine

SMILES

Cc1cc2nc(-c(cc3)ccc3SC)c(Nc(cc3)cc4c3OCO4)n2cc1

InChI

InChI=1S/C22H19N3O2S/c1-14-9-10-25-20(11-14)24-21(15-3-6-17(28-2)7-4-15)22(25)23-16-5-8-18-19(12-16)27-13-26-18/h3-12,23H,13H2,1-2H3

InChI Key

YPUYVZWLIWMGEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08682726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.48

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

5.443

Distribution Coefficient, logD

5.441

Water Solubility, LogSw

-5.47

Polar Surface Area

34.794

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C488-0602 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C488-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C488-0602?
Check Price and Availability of C488-0602, 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 C488-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C488-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C488-0602
  • 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 C488-0602 available by request