E644-0419 Screening compound: 4-(2,5-dimethyl-4,5,6,7-tetrahydro-1H-indol-1-yl)-N-(2-phenylpropyl)benzamide

E644-0419 Screening compound: 4-(2,5-dimethyl-4,5,6,7-tetrahydro-1H-indol-1-yl)-N-(2-phenylpropyl)benzamide
E644-0419 Screening compound: 4-(2,5-dimethyl-4,5,6,7-tetrahydro-1H-indol-1-yl)-N-(2-phenylpropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E644-0419
4-(2,5-dimethyl-4,5,6,7-tetrahydro-1H-indol-1-yl)-N-(2-phenylpropyl)benzamide

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

E644-0419

Molecular Formula

C26H30N2O (C26 H30 N2 O)

Compound Name

4-(2,5-dimethyl-4,5,6,7-tetrahydro-1H-indol-1-yl)-N-(2-phenylpropyl)benzamide

IUPAC name

4-(25-dimethyl-4567-tetrahydro-1H-indol-1-yl)-N-(2-phenylpropyl)benzamide

SMILES

CC(CNC(c(cc1)ccc1-n1c(CCC(C)C2)c2cc1C)=O)c1ccccc1

InChI

InChI=1S/C26H30N2O/c1-18-9-14-25-23(15-18)16-20(3)28(25)24-12-10-22(11-13-24)26(29)27-17-19(2)21-7-5-4-6-8-21/h4-8,10-13,16,18-19H,9,14-15,17H2,1-3H3,(H,27,29)

InChI Key

LSWNGBSJVMNJFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14907337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.54

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.660

Distribution Coefficient, logD

5.660

Water Solubility, LogSw

-5.50

Polar Surface Area

27.222

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.60

E644-0419 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E644-0419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E644-0419?
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What is the minimum amount of E644-0419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E644-0419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E644-0419
  • 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 E644-0419 available by request