6028-4226 Screening compound: N~5~-(2-ethoxyphenyl)-10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3(8),4,6-triene-5-carboxamide

6028-4226 Screening compound: N~5~-(2-ethoxyphenyl)-10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3(8),4,6-triene-5-carboxamide
6028-4226 Screening compound: N~5~-(2-ethoxyphenyl)-10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3(8),4,6-triene-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6028-4226
N~5~-(2-ethoxyphenyl)-10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3(8),4,6-triene-5-carboxamide

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

6028-4226

Molecular Formula

C29H30N2O2 (C29 H30 N2 O2)

Compound Name

N~5~-(2-ethoxyphenyl)-10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3(8),4,6-triene-5-carboxamide

IUPAC name

N-(2-ethoxyphenyl)-10-phenyl-9-azatetracyclo[10.2.1.0^{211}.0^{38}]pentadeca-3(8)46-triene-5-carboxamide

SMILES

CCOc(cccc1)c1NC(c(cc1)cc(C2C3C4CC2CC4)c1NC3c1ccccc1)=O

InChI

InChI=1S/C29H30N2O2/c1-2-33-25-11-7-6-10-24(25)31-29(32)21-14-15-23-22(17-21)26-19-12-13-20(16-19)27(26)28(30-23)18-8-4-3-5-9-18/h3-11,14-15,17,19-20,26-28,30H,2,12-13,16H2,1H3,(H,31,32)

InChI Key

VCWRTYSELLQTOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03865639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.57

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.459

Distribution Coefficient, logD

6.449

Water Solubility, LogSw

-5.77

Polar Surface Area

42.212

Acid Dissociation Constant (pKa)

9.05

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

34.50

6028-4226 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 6028-4226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6028-4226?
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What is the minimum amount of 6028-4226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6028-4226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6028-4226
  • 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 6028-4226 available by request