E221-1229 Screening compound: 3,5-dimethyl-1-(4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzoyl)piperidine

E221-1229 Screening compound: 3,5-dimethyl-1-(4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzoyl)piperidine
E221-1229 Screening compound: 3,5-dimethyl-1-(4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzoyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound E221-1229
3,5-dimethyl-1-(4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzoyl)piperidine

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

E221-1229

Molecular Formula

C29H34N2O (C29 H34 N2 O)

Compound Name

3,5-dimethyl-1-(4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzoyl)piperidine

IUPAC name

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

SMILES

CC(CC(C)C1)CN1C(c(cc1)ccc1-n1c(-c2ccccc2)cc2c1CCCCC2)=O

InChI

InChI=1S/C29H34N2O/c1-21-17-22(2)20-30(19-21)29(32)24-13-15-26(16-14-24)31-27-12-8-4-7-11-25(27)18-28(31)23-9-5-3-6-10-23/h3,5-6,9-10,13-16,18,21-22H,4,7-8,11-12,17,19-20H2,1-2H3

InChI Key

QZARURGOLJKZON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14848989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.6

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

6.766

Distribution Coefficient, logD

6.766

Water Solubility, LogSw

-5.56

Polar Surface Area

18.413

Acid Dissociation Constant (pKa)

25.22

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.40

E221-1229 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 E221-1229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E221-1229?
Check Price and Availability of E221-1229, 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 E221-1229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E221-1229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E221-1229
  • 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 E221-1229 available by request