E221-1314 Screening compound: N-cyclopropyl-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide

E221-1314 Screening compound: N-cyclopropyl-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide
E221-1314 Screening compound: N-cyclopropyl-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E221-1314
N-cyclopropyl-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

E221-1314

Molecular Formula

C25H26N2O (C25 H26 N2 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1-n1c(-c2ccccc2)cc2c1CCCCC2)NC1CC1

InChI

InChI=1S/C25H26N2O/c28-25(26-21-13-14-21)19-11-15-22(16-12-19)27-23-10-6-2-5-9-20(23)17-24(27)18-7-3-1-4-8-18/h1,3-4,7-8,11-12,15-17,21H,2,5-6,9-10,13-14H2,(H,26,28)

InChI Key

DBEJHMLJTSEYMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14849018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.49

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.416

Distribution Coefficient, logD

5.416

Water Solubility, LogSw

-5.76

Polar Surface Area

26.367

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

E221-1314 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 E221-1314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E221-1314?
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What is the minimum amount of E221-1314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E221-1314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E221-1314
  • 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 E221-1314 available by request