E221-1354 Screening compound: N-(3-methoxypropyl)-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide

E221-1354 Screening compound: N-(3-methoxypropyl)-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide
E221-1354 Screening compound: N-(3-methoxypropyl)-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E221-1354
N-(3-methoxypropyl)-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

E221-1354

Molecular Formula

C26H30N2O2 (C26 H30 N2 O2)

Compound Name

N-(3-methoxypropyl)-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide

IUPAC name

N-(3-methoxypropyl)-4-{2-phenyl-1H4H5H6H7H8H-cyclohepta[b]pyrrol-1-yl}benzamide

SMILES

COCCCNC(c(cc1)ccc1-n1c(-c2ccccc2)cc2c1CCCCC2)=O

InChI

InChI=1S/C26H30N2O2/c1-30-18-8-17-27-26(29)21-13-15-23(16-14-21)28-24-12-7-3-6-11-22(24)19-25(28)20-9-4-2-5-10-20/h2,4-5,9-10,13-16,19H,3,6-8,11-12,17-18H2,1H3,(H,27,29)

InChI Key

AULCCKWGFUXGCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14849037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.163

Distribution Coefficient, logD

5.163

Water Solubility, LogSw

-4.87

Polar Surface Area

34.766

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

E221-1354 in Drug Discovery

Included in Screening Libraries

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 E221-1354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E221-1354?
Check Price and Availability of E221-1354, 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 E221-1354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E221-1354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E221-1354
  • 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 E221-1354 available by request