8012-5809 Screening compound: 2-[5-(benzyloxy)-2-methyl-1H-indol-3-yl]-1-ethanamine

8012-5809 Screening compound: 2-[5-(benzyloxy)-2-methyl-1H-indol-3-yl]-1-ethanamine
8012-5809 Screening compound: 2-[5-(benzyloxy)-2-methyl-1H-indol-3-yl]-1-ethanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5809
2-[5-(benzyloxy)-2-methyl-1H-indol-3-yl]-1-ethanamine

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

8012-5809

Molecular Formula

C18H20N2O (C18 H20 N2 O)

Compound Name

2-[5-(benzyloxy)-2-methyl-1H-indol-3-yl]-1-ethanamine

IUPAC name

2-[5-(benzyloxy)-2-methyl-1H-indol-3-yl]ethan-1-amine

SMILES

Cc1c(CCN)c(cc(cc2)OCc3ccccc3)c2[nH]1

InChI

InChI=1S/C18H20N2O/c1-13-16(9-10-19)17-11-15(7-8-18(17)20-13)21-12-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12,19H2,1H3

InChI Key

GXWTUBXFAHMHIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656504

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

280.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.089

Distribution Coefficient, logD

1.071

Water Solubility, LogSw

-3.35

Polar Surface Area

38.547

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

9.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8012-5809 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

CNS targets activity set (6557 compounds)

Human Ion Channels Annotated Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8012-5809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5809?
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What is the minimum amount of 8012-5809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5809
  • 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 8012-5809 available by request