1770-0166 Screening compound: (E)-1-(2H-1,3-benzodioxol-5-yl)-N-{1-[2-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazol-2-yl}methanimine

1770-0166 Screening compound: (E)-1-(2H-1,3-benzodioxol-5-yl)-N-{1-[2-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazol-2-yl}methanimine
1770-0166 Screening compound: (E)-1-(2H-1,3-benzodioxol-5-yl)-N-{1-[2-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazol-2-yl}methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1770-0166
(E)-1-(2H-1,3-benzodioxol-5-yl)-N-{1-[2-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazol-2-yl}methanimine

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

1770-0166

Molecular Formula

C22H24N4O2 (C22 H24 N4 O2)

Compound Name

(E)-1-(2H-1,3-benzodioxol-5-yl)-N-{1-[2-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazol-2-yl}methanimine

IUPAC name

(E)-1-(2H-13-benzodioxol-5-yl)-N-{1-[2-(piperidin-1-yl)ethyl]-1H-13-benzodiazol-2-yl}methanimine

SMILES

C(CN1CCCCC1)n1c(/N=C/c(cc2)cc3c2OCO3)nc2c1cccc2

InChI

InChI=1S/C22H24N4O2/c1-4-10-25(11-5-1)12-13-26-19-7-3-2-6-18(19)24-22(26)23-15-17-8-9-20-21(14-17)28-16-27-20/h2-3,6-9,14-15H,1,4-5,10-13,16H2

InChI Key

BFGSCICBZOPICD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00839386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.276

Distribution Coefficient, logD

3.364

Water Solubility, LogSw

-4.26

Polar Surface Area

41.278

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

8.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

1770-0166 in Drug Discovery

Included in Screening Libraries

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

CNS Annotated Library (688 compounds)

Frequent Hitters Library (7624 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1770-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1770-0166?
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What is the minimum amount of 1770-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1770-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1770-0166
  • 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 1770-0166 available by request