5954-1539 Screening compound: N~5~-(3-methoxyphenyl)-10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3(8),4,6-triene-5-carboxamide

5954-1539 Screening compound: N~5~-(3-methoxyphenyl)-10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3(8),4,6-triene-5-carboxamide
5954-1539 Screening compound: N~5~-(3-methoxyphenyl)-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 5954-1539
N~5~-(3-methoxyphenyl)-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

5954-1539

Molecular Formula

C28H28N2O2 (C28 H28 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(NC(c(cc2)cc(C3C4C5CC3CC5)c2NC4c2ccccc2)=O)c1

InChI

InChI=1S/C28H28N2O2/c1-32-22-9-5-8-21(16-22)29-28(31)20-12-13-24-23(15-20)25-18-10-11-19(14-18)26(25)27(30-24)17-6-3-2-4-7-17/h2-9,12-13,15-16,18-19,25-27,30H,10-11,14H2,1H3,(H,29,31)

InChI Key

TVGZKZFJFIQNJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04127039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.153

Distribution Coefficient, logD

6.149

Water Solubility, LogSw

-5.69

Polar Surface Area

43.243

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

32.10

5954-1539 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Regenerative Medicine Focused Library (23016 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
  • 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 5954-1539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5954-1539?
Check Price and Availability of 5954-1539, 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 5954-1539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5954-1539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5954-1539
  • 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 5954-1539 available by request