8017-3055 Screening compound: {[3,4-bis(benzyloxy)phenyl]methyl}[2-(1H-indol-3-yl)ethyl]amine

8017-3055 Screening compound: {[3,4-bis(benzyloxy)phenyl]methyl}[2-(1H-indol-3-yl)ethyl]amine
8017-3055 Screening compound: {[3,4-bis(benzyloxy)phenyl]methyl}[2-(1H-indol-3-yl)ethyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3055
{[3,4-bis(benzyloxy)phenyl]methyl}[2-(1H-indol-3-yl)ethyl]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

8017-3055

Molecular Formula

C31H30N2O2 (C31 H30 N2 O2)

Compound Name

{[3,4-bis(benzyloxy)phenyl]methyl}[2-(1H-indol-3-yl)ethyl]amine

IUPAC name

{[34-bis(benzyloxy)phenyl]methyl}[2-(1H-indol-3-yl)ethyl]amine

SMILES

C(CNCc(cc1)cc(OCc2ccccc2)c1OCc1ccccc1)c1c[nH]c2c1cccc2

InChI

InChI=1S/C31H30N2O2/c1-3-9-24(10-4-1)22-34-30-16-15-26(19-31(30)35-23-25-11-5-2-6-12-25)20-32-18-17-27-21-33-29-14-8-7-13-28(27)29/h1-16,19,21,32-33H,17-18,20,22-23H2

InChI Key

ILYDEDAGWJFBKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015806

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

462.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.536

Distribution Coefficient, logD

2.684

Water Solubility, LogSw

-6.33

Polar Surface Area

36.345

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

10.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.10

8017-3055 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8017-3055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3055?
Check Price and Availability of 8017-3055, 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 8017-3055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3055
  • 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 8017-3055 available by request