4052-0002 Screening compound: 1-({3-bromoimidazo[1,2-a]pyridin-2-yl}methyl)pyridin-1-ium

4052-0002 Screening compound: 1-({3-bromoimidazo[1,2-a]pyridin-2-yl}methyl)pyridin-1-ium
4052-0002 Screening compound: 1-({3-bromoimidazo[1,2-a]pyridin-2-yl}methyl)pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 4052-0002
1-({3-bromoimidazo[1,2-a]pyridin-2-yl}methyl)pyridin-1-ium

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

4052-0002

Molecular Formula

C13H11BrN3 (C13 H11 BrN3)

Compound Name

1-({3-bromoimidazo[1,2-a]pyridin-2-yl}methyl)pyridin-1-ium

IUPAC name

1-({3-bromoimidazo[12-a]pyridin-2-yl}methyl)pyridin-1-ium

SMILES

Brc1c(C[n+]2ccccc2)nc2n1cccc2

InChI

InChI=1S/C13H11BrN3/c14-13-11(10-16-7-3-1-4-8-16)15-12-6-2-5-9-17(12)13/h1-9H,10H2/q+1

InChI Key

SDCFSFHWBKMEQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01943687

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

289.15

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.124

Distribution Coefficient, logD

2.123

Water Solubility, LogSw

-2.11

Polar Surface Area

12.933

Acid Dissociation Constant (pKa)

27.39

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

4052-0002 in Drug Discovery

Included in Screening Libraries

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

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Crystallographic and 19F NMR fragment-libraries (624 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4052-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4052-0002?
Check Price and Availability of 4052-0002, 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 4052-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4052-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4052-0002
  • 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 4052-0002 available by request