E221-1328 Screening compound: N-[(2-methoxyphenyl)methyl]-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide

E221-1328 Screening compound: N-[(2-methoxyphenyl)methyl]-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide
E221-1328 Screening compound: N-[(2-methoxyphenyl)methyl]-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E221-1328
N-[(2-methoxyphenyl)methyl]-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

E221-1328

Molecular Formula

C30H30N2O2 (C30 H30 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1c(CNC(c(cc2)ccc2-n2c(-c3ccccc3)cc3c2CCCCC3)=O)cccc1

InChI

InChI=1S/C30H30N2O2/c1-34-29-15-9-8-13-25(29)21-31-30(33)23-16-18-26(19-17-23)32-27-14-7-3-6-12-24(27)20-28(32)22-10-4-2-5-11-22/h2,4-5,8-11,13,15-20H,3,6-7,12,14,21H2,1H3,(H,31,33)

InChI Key

QMBPLDQJKGBQNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14849025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.58

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

6.692

Distribution Coefficient, logD

6.692

Water Solubility, LogSw

-5.56

Polar Surface Area

33.941

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with E221-1328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E221-1328?
Check Price and Availability of E221-1328, 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 E221-1328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E221-1328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E221-1328
  • 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 E221-1328 available by request