E221-1228 Screening compound: 8-(4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzoyl)-1,4-dioxa-8-azaspiro[4.5]decane

E221-1228 Screening compound: 8-(4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzoyl)-1,4-dioxa-8-azaspiro[4.5]decane
E221-1228 Screening compound: 8-(4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzoyl)-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound E221-1228
8-(4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzoyl)-1,4-dioxa-8-azaspiro[4.5]decane

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

E221-1228

Molecular Formula

C29H32N2O3 (C29 H32 N2 O3)

Compound Name

8-(4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzoyl)-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-(4-{2-phenyl-1H4H5H6H7H8H-cyclohepta[b]pyrrol-1-yl}benzoyl)-14-dioxa-8-azaspiro[4.5]decane

SMILES

O=C(c(cc1)ccc1-n1c(-c2ccccc2)cc2c1CCCCC2)N(CC1)CCC11OCCO1

InChI

InChI=1S/C29H32N2O3/c32-28(30-17-15-29(16-18-30)33-19-20-34-29)23-11-13-25(14-12-23)31-26-10-6-2-5-9-24(26)21-27(31)22-7-3-1-4-8-22/h1,3-4,7-8,11-14,21H,2,5-6,9-10,15-20H2

InChI Key

FILMVWIRMIEQBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14848988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.948

Distribution Coefficient, logD

4.948

Water Solubility, LogSw

-4.86

Polar Surface Area

32.983

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

References: we are preparing a list of scientific research reports with E221-1228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E221-1228?
Check Price and Availability of E221-1228, 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 E221-1228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E221-1228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E221-1228
  • 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 E221-1228 available by request