E221-1226 Screening compound: 1-(4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzoyl)-4-(pyridin-2-yl)piperazine

E221-1226 Screening compound: 1-(4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzoyl)-4-(pyridin-2-yl)piperazine
E221-1226 Screening compound: 1-(4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzoyl)-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E221-1226
1-(4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzoyl)-4-(pyridin-2-yl)piperazine

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

E221-1226

Molecular Formula

C31H32N4O (C31 H32 N4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1-n1c(-c2ccccc2)cc2c1CCCCC2)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C31H32N4O/c36-31(34-21-19-33(20-22-34)30-13-7-8-18-32-30)25-14-16-27(17-15-25)35-28-12-6-2-5-11-26(28)23-29(35)24-9-3-1-4-10-24/h1,3-4,7-10,13-18,23H,2,5-6,11-12,19-22H2

InChI Key

WIPDBRMPSOYKPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14848987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.62

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.188

Distribution Coefficient, logD

6.179

Water Solubility, LogSw

-6.02

Polar Surface Area

30.317

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

E221-1226 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E221-1226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E221-1226?
Check Price and Availability of E221-1226, 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 E221-1226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E221-1226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E221-1226
  • 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 E221-1226 available by request