E221-1268 Screening compound: N-(4-chlorophenyl)-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide

E221-1268 Screening compound: N-(4-chlorophenyl)-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide
E221-1268 Screening compound: N-(4-chlorophenyl)-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E221-1268
N-(4-chlorophenyl)-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

E221-1268

Molecular Formula

C28H25ClN2O (C28 H25 ClN2 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1-n1c(-c2ccccc2)cc2c1CCCCC2)Nc(cc1)ccc1Cl

InChI

InChI=1S/C28H25ClN2O/c29-23-13-15-24(16-14-23)30-28(32)21-11-17-25(18-12-21)31-26-10-6-2-5-9-22(26)19-27(31)20-7-3-1-4-8-20/h1,3-4,7-8,11-19H,2,5-6,9-10H2,(H,30,32)

InChI Key

ZJLZAQZIOIPLDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14848999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.97

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.399

Distribution Coefficient, logD

7.392

Water Solubility, LogSw

-6.58

Polar Surface Area

24.989

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

E221-1268 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E221-1268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E221-1268?
Check Price and Availability of E221-1268, 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 E221-1268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E221-1268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E221-1268
  • 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 E221-1268 available by request