8008-2711 Screening compound: N-[(E)-1-(6-chloro-1,3-benzodioxol-5-yl)methylidene]-N-[2-(2-furyl)imidazo[1,2-a]pyridin-3-yl]amine

8008-2711 Screening compound: N-[(E)-1-(6-chloro-1,3-benzodioxol-5-yl)methylidene]-N-[2-(2-furyl)imidazo[1,2-a]pyridin-3-yl]amine
8008-2711 Screening compound: N-[(E)-1-(6-chloro-1,3-benzodioxol-5-yl)methylidene]-N-[2-(2-furyl)imidazo[1,2-a]pyridin-3-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-2711
N-[(E)-1-(6-chloro-1,3-benzodioxol-5-yl)methylidene]-N-[2-(2-furyl)imidazo[1,2-a]pyridin-3-yl]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

8008-2711

Molecular Formula

C19H12ClN3O3 (C19 H12 ClN3 O3)

Compound Name

N-[(E)-1-(6-chloro-1,3-benzodioxol-5-yl)methylidene]-N-[2-(2-furyl)imidazo[1,2-a]pyridin-3-yl]amine

IUPAC name

(E)-1-(6-chloro-2H-13-benzodioxol-5-yl)-N-[2-(furan-2-yl)imidazo[12-a]pyridin-3-yl]methanimine

SMILES

Clc1c(/C=N/c2c(-c3ccco3)nc3n2cccc3)cc2OCOc2c1

InChI

InChI=1S/C19H12ClN3O3/c20-13-9-16-15(25-11-26-16)8-12(13)10-21-19-18(14-4-3-7-24-14)22-17-5-1-2-6-23(17)19/h1-10H,11H2

InChI Key

WNCIYCGWKFDBCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01160782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.095

Distribution Coefficient, logD

4.095

Water Solubility, LogSw

-4.43

Polar Surface Area

42.588

Acid Dissociation Constant (pKa)

37.69

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.26

8008-2711 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8008-2711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-2711?
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What is the minimum amount of 8008-2711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-2711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-2711
  • 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 8008-2711 available by request