E221-1386 Screening compound: N-[3-(azepan-1-yl)propyl]-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide

E221-1386 Screening compound: N-[3-(azepan-1-yl)propyl]-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide
E221-1386 Screening compound: N-[3-(azepan-1-yl)propyl]-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E221-1386
N-[3-(azepan-1-yl)propyl]-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

E221-1386

Molecular Formula

C31H39N3O (C31 H39 N3 O)

Compound Name

N-[3-(azepan-1-yl)propyl]-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide

IUPAC name

N-[3-(azepan-1-yl)propyl]-4-{2-phenyl-1H4H5H6H7H8H-cyclohepta[b]pyrrol-1-yl}benzamide

SMILES

O=C(c(cc1)ccc1-n1c(-c2ccccc2)cc2c1CCCCC2)NCCCN1CCCCCC1

InChI

InChI=1S/C31H39N3O/c35-31(32-20-11-23-33-21-9-1-2-10-22-33)26-16-18-28(19-17-26)34-29-15-8-4-7-14-27(29)24-30(34)25-12-5-3-6-13-25/h3,5-6,12-13,16-19,24H,1-2,4,7-11,14-15,20-23H2,(H,32,35)

InChI Key

XVJVHLFBAPVLMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14849046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.67

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.269

Distribution Coefficient, logD

3.698

Water Solubility, LogSw

-5.90

Polar Surface Area

30.466

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

9.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.20

E221-1386 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with E221-1386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E221-1386?
Check Price and Availability of E221-1386, 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 E221-1386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E221-1386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E221-1386
  • 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 E221-1386 available by request