E221-1205 Screening compound: 1-(4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzoyl)azepane

E221-1205 Screening compound: 1-(4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzoyl)azepane
E221-1205 Screening compound: 1-(4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzoyl)azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound E221-1205
1-(4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzoyl)azepane

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

E221-1205

Molecular Formula

C28H32N2O (C28 H32 N2 O)

Compound Name

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

IUPAC name

1-(4-{2-phenyl-1H4H5H6H7H8H-cyclohepta[b]pyrrol-1-yl}benzoyl)azepane

SMILES

O=C(c(cc1)ccc1-n1c(-c2ccccc2)cc2c1CCCCC2)N1CCCCCC1

InChI

InChI=1S/C28H32N2O/c31-28(29-19-9-1-2-10-20-29)23-15-17-25(18-16-23)30-26-14-8-4-7-13-24(26)21-27(30)22-11-5-3-6-12-22/h3,5-6,11-12,15-18,21H,1-2,4,7-10,13-14,19-20H2

InChI Key

ZARMDGNZSDHRTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14848979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.57

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.381

Distribution Coefficient, logD

6.381

Water Solubility, LogSw

-6.07

Polar Surface Area

18.877

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

E221-1205 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E221-1205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E221-1205?
Check Price and Availability of E221-1205, 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 E221-1205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E221-1205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E221-1205
  • 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 E221-1205 available by request