E221-1109 Screening compound: N-(3-ethoxypropyl)-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide

E221-1109 Screening compound: N-(3-ethoxypropyl)-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide
E221-1109 Screening compound: N-(3-ethoxypropyl)-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E221-1109
N-(3-ethoxypropyl)-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)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

E221-1109

Molecular Formula

C27H32N2O2 (C27 H32 N2 O2)

Compound Name

N-(3-ethoxypropyl)-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide

IUPAC name

N-(3-ethoxypropyl)-4-(5-methyl-2-phenyl-4567-tetrahydro-1H-indol-1-yl)benzamide

SMILES

CCOCCCNC(c(cc1)ccc1-n1c(-c2ccccc2)cc2c1CCC(C)C2)=O

InChI

InChI=1S/C27H32N2O2/c1-3-31-17-7-16-28-27(30)22-11-13-24(14-12-22)29-25-15-10-20(2)18-23(25)19-26(29)21-8-5-4-6-9-21/h4-6,8-9,11-14,19-20H,3,7,10,15-18H2,1-2H3,(H,28,30)/t20-/m1/s1

InChI Key

SFQHDALVGDCXSC-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14848959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.429

Distribution Coefficient, logD

5.429

Water Solubility, LogSw

-5.31

Polar Surface Area

34.070

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

E221-1109 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E221-1109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E221-1109?
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What is the minimum amount of E221-1109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E221-1109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E221-1109
  • 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 E221-1109 available by request