5900-0034 Screening compound: 15-allyl-16-oxo-N~17~-phenyl-2-oxa-15-azatetracyclo[7.5.3.0~1,10~.0~3,8~]heptadeca-3,5,7-triene-17-carboxamide

5900-0034 Screening compound: 15-allyl-16-oxo-N~17~-phenyl-2-oxa-15-azatetracyclo[7.5.3.0~1,10~.0~3,8~]heptadeca-3,5,7-triene-17-carboxamide
5900-0034 Screening compound: 15-allyl-16-oxo-N~17~-phenyl-2-oxa-15-azatetracyclo[7.5.3.0~1,10~.0~3,8~]heptadeca-3,5,7-triene-17-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5900-0034
15-allyl-16-oxo-N~17~-phenyl-2-oxa-15-azatetracyclo[7.5.3.0~1,10~.0~3,8~]heptadeca-3,5,7-triene-17-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

5900-0034

Molecular Formula

C25H26N2O3 (C25 H26 N2 O3)

Compound Name

15-allyl-16-oxo-N~17~-phenyl-2-oxa-15-azatetracyclo[7.5.3.0~1,10~.0~3,8~]heptadeca-3,5,7-triene-17-carboxamide

IUPAC name

16-oxo-N-phenyl-15-(prop-2-en-1-yl)-2-oxa-15-azatetracyclo[7.5.3.0^{110}.0^{38}]heptadeca-357-triene-17-carboxamide

SMILES

C=CCN(C(CCCC1)(C1C1C2C(Nc3ccccc3)=O)Oc3c1cccc3)C2=O

InChI

InChI=1S/C25H26N2O3/c1-2-16-27-24(29)22(23(28)26-17-10-4-3-5-11-17)21-18-12-6-7-14-20(18)30-25(27)15-9-8-13-19(21)25/h2-7,10-12,14,19,21-22H,1,8-9,13,15-16H2,(H,26,28)

InChI Key

HCKWLIFVKPDIEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03624218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.058

Distribution Coefficient, logD

4.058

Water Solubility, LogSw

-4.48

Polar Surface Area

45.347

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

36.00

5900-0034 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 5900-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5900-0034?
Check Price and Availability of 5900-0034, 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 5900-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5900-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5900-0034
  • 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 5900-0034 available by request