E221-1405 Screening compound: N-{2-[cyclohexyl(methyl)amino]ethyl}-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide

E221-1405 Screening compound: N-{2-[cyclohexyl(methyl)amino]ethyl}-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide
E221-1405 Screening compound: N-{2-[cyclohexyl(methyl)amino]ethyl}-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E221-1405
N-{2-[cyclohexyl(methyl)amino]ethyl}-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

E221-1405

Molecular Formula

C31H39N3O (C31 H39 N3 O)

Compound Name

N-{2-[cyclohexyl(methyl)amino]ethyl}-4-{2-phenyl-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl}benzamide

IUPAC name

N-{2-[cyclohexyl(methyl)amino]ethyl}-4-{2-phenyl-1H4H5H6H7H8H-cyclohepta[b]pyrrol-1-yl}benzamide

SMILES

CN(CCNC(c(cc1)ccc1-n1c(-c2ccccc2)cc2c1CCCCC2)=O)C1CCCCC1

InChI

InChI=1S/C31H39N3O/c1-33(27-14-8-4-9-15-27)22-21-32-31(35)25-17-19-28(20-18-25)34-29-16-10-3-7-13-26(29)23-30(34)24-11-5-2-6-12-24/h2,5-6,11-12,17-20,23,27H,3-4,7-10,13-16,21-22H2,1H3,(H,32,35)

InChI Key

UAEQUHLFBJEZFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14849053

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

6.391

Distribution Coefficient, logD

5.455

Water Solubility, LogSw

-5.48

Polar Surface Area

29.190

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

8.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.20

E221-1405 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E221-1405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E221-1405?
Check Price and Availability of E221-1405, 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 E221-1405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E221-1405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E221-1405
  • 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 E221-1405 available by request