8018-6400 Screening compound: 2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde

8018-6400 Screening compound: 2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
8018-6400 Screening compound: 2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6400
2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde

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

8018-6400

Molecular Formula

C16H14N2O3 (C16 H14 N2 O3)

Compound Name

2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde

IUPAC name

2-(34-dimethoxyphenyl)imidazo[12-a]pyridine-3-carbaldehyde

SMILES

COc(ccc(-c1c(C=O)n(cccc2)c2n1)c1)c1OC

InChI

InChI=1S/C16H14N2O3/c1-20-13-7-6-11(9-14(13)21-2)16-12(10-19)18-8-4-3-5-15(18)17-16/h3-10H,1-2H3

InChI Key

VXYOBAYEPXBZLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04117011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.564

Distribution Coefficient, logD

2.564

Water Solubility, LogSw

-2.69

Polar Surface Area

38.025

Acid Dissociation Constant (pKa)

32.86

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8018-6400 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8018-6400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6400?
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What is the minimum amount of 8018-6400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6400
  • 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 8018-6400 available by request