E221-1284 Screening compound: N-[2-(dimethylamino)ethyl]-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide

E221-1284 Screening compound: N-[2-(dimethylamino)ethyl]-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide
E221-1284 Screening compound: N-[2-(dimethylamino)ethyl]-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E221-1284
N-[2-(dimethylamino)ethyl]-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-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

E221-1284

Molecular Formula

C26H31N3O (C26 H31 N3 O)

Compound Name

N-[2-(dimethylamino)ethyl]-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide

IUPAC name

N-[2-(dimethylamino)ethyl]-4-{2-phenyl-1H4H5H6H7H8H-cyclohepta[b]pyrrol-1-yl}benzamide

SMILES

CN(C)CCNC(c(cc1)ccc1-n1c(-c2ccccc2)cc2c1CCCCC2)=O

InChI

InChI=1S/C26H31N3O/c1-28(2)18-17-27-26(30)21-13-15-23(16-14-21)29-24-12-8-4-7-11-22(24)19-25(29)20-9-5-3-6-10-20/h3,5-6,9-10,13-16,19H,4,7-8,11-12,17-18H2,1-2H3,(H,27,30)

InChI Key

WXRXGLALWSAWSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14849006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.806

Distribution Coefficient, logD

3.967

Water Solubility, LogSw

-4.40

Polar Surface Area

30.290

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

8.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

E221-1284 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E221-1284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E221-1284?
Check Price and Availability of E221-1284, 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 E221-1284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E221-1284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E221-1284
  • 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 E221-1284 available by request