E847-0382 Screening compound: 1-[(4-ethenylphenyl)methyl]-6-methyl-3-{[(2-phenylpropyl)amino]methyl}-1H-indole-2-carboxylic acid

E847-0382 Screening compound: 1-[(4-ethenylphenyl)methyl]-6-methyl-3-{[(2-phenylpropyl)amino]methyl}-1H-indole-2-carboxylic acid
E847-0382 Screening compound: 1-[(4-ethenylphenyl)methyl]-6-methyl-3-{[(2-phenylpropyl)amino]methyl}-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E847-0382
1-[(4-ethenylphenyl)methyl]-6-methyl-3-{[(2-phenylpropyl)amino]methyl}-1H-indole-2-carboxylic acid

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

E847-0382

Molecular Formula

C29H30N2O2 (C29 H30 N2 O2)

Compound Name

1-[(4-ethenylphenyl)methyl]-6-methyl-3-{[(2-phenylpropyl)amino]methyl}-1H-indole-2-carboxylic acid

IUPAC name

1-[(4-ethenylphenyl)methyl]-6-methyl-3-{[(2-phenylpropyl)amino]methyl}-1H-indole-2-carboxylic acid

SMILES

CC(CNCc1c(C(O)=O)n(Cc2ccc(C=C)cc2)c2c1ccc(C)c2)c1ccccc1

InChI

InChI=1S/C29H30N2O2/c1-4-22-11-13-23(14-12-22)19-31-27-16-20(2)10-15-25(27)26(28(31)29(32)33)18-30-17-21(3)24-8-6-5-7-9-24/h4-16,21,30H,1,17-19H2,2-3H3,(H,32,33)/t21-/m0/s1

InChI Key

LZAFPKRXSQGYST-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27602090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.472

Distribution Coefficient, logD

6.472

Water Solubility, LogSw

-5.65

Polar Surface Area

40.642

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

10.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

E847-0382 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E847-0382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E847-0382?
Check Price and Availability of E847-0382, 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 E847-0382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E847-0382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E847-0382
  • 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 E847-0382 available by request