E221-1199 Screening compound: N-benzyl-N-methyl-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide

E221-1199 Screening compound: N-benzyl-N-methyl-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide
E221-1199 Screening compound: N-benzyl-N-methyl-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E221-1199
N-benzyl-N-methyl-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

E221-1199

Molecular Formula

C30H30N2O (C30 H30 N2 O)

Compound Name

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

IUPAC name

N-benzyl-N-methyl-4-{2-phenyl-1H4H5H6H7H8H-cyclohepta[b]pyrrol-1-yl}benzamide

SMILES

CN(Cc1ccccc1)C(c(cc1)ccc1-n1c(-c2ccccc2)cc2c1CCCCC2)=O

InChI

InChI=1S/C30H30N2O/c1-31(22-23-11-5-2-6-12-23)30(33)25-17-19-27(20-18-25)32-28-16-10-4-9-15-26(28)21-29(32)24-13-7-3-8-14-24/h2-3,5-8,11-14,17-21H,4,9-10,15-16,22H2,1H3

InChI Key

VICOOVLRTGWYBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14848977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.58

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.694

Distribution Coefficient, logD

6.694

Water Solubility, LogSw

-5.55

Polar Surface Area

18.048

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

E221-1199 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with E221-1199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E221-1199?
Check Price and Availability of E221-1199, 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 E221-1199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E221-1199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E221-1199
  • 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 E221-1199 available by request