8019-9989 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)(1H-indol-4-yl)methanamine

8019-9989 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)(1H-indol-4-yl)methanamine
8019-9989 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)(1H-indol-4-yl)methanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9989
N-(1,3-benzodioxol-5-ylmethyl)(1H-indol-4-yl)methanamine

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

8019-9989

Molecular Formula

C17H16N2O2 (C17 H16 N2 O2)

Compound Name

N-(1,3-benzodioxol-5-ylmethyl)(1H-indol-4-yl)methanamine

IUPAC name

[(2H-13-benzodioxol-5-yl)methyl][(1H-indol-4-yl)methyl]amine

SMILES

C(c(cc1)cc2c1OCO2)NCc1c(cc[nH]2)c2ccc1

InChI

InChI=1S/C17H16N2O2/c1-2-13(14-6-7-19-15(14)3-1)10-18-9-12-4-5-16-17(8-12)21-11-20-16/h1-8,18-19H,9-11H2

InChI Key

BFLFCHOLSNKEEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09455120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.038

Distribution Coefficient, logD

0.908

Water Solubility, LogSw

-3.14

Polar Surface Area

38.901

Acid Dissociation Constant (pKa)

18.10

Base Dissociation Constant (pKb)

9.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

8019-9989 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8019-9989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9989?
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What is the minimum amount of 8019-9989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9989
  • 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 8019-9989 available by request