D018-0235 Screening compound: N~17~-(4-methoxyphenyl)-16-oxo-2-oxa-15-azatetracyclo[7.5.3.0~1,10~.0~3,8~]heptadeca-3,5,7-triene-17-carboxamide

D018-0235 Screening compound: N~17~-(4-methoxyphenyl)-16-oxo-2-oxa-15-azatetracyclo[7.5.3.0~1,10~.0~3,8~]heptadeca-3,5,7-triene-17-carboxamide
D018-0235 Screening compound: N~17~-(4-methoxyphenyl)-16-oxo-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 D018-0235
N~17~-(4-methoxyphenyl)-16-oxo-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

D018-0235

Molecular Formula

C23H24N2O4 (C23 H24 N2 O4)

Compound Name

N~17~-(4-methoxyphenyl)-16-oxo-2-oxa-15-azatetracyclo[7.5.3.0~1,10~.0~3,8~]heptadeca-3,5,7-triene-17-carboxamide

IUPAC name

N-(4-methoxyphenyl)-16-oxo-2-oxa-15-azatetracyclo[7.5.3.0^{110}.0^{38}]heptadeca-357-triene-17-carboxamide

SMILES

COc(cc1)ccc1NC(C(C(C1CCCC2)c(cccc3)c3OC12N1)C1=O)=O

InChI

InChI=1S/C23H24N2O4/c1-28-15-11-9-14(10-12-15)24-21(26)20-19-16-6-2-3-8-18(16)29-23(25-22(20)27)13-5-4-7-17(19)23/h2-3,6,8-12,17,19-20H,4-5,7,13H2,1H3,(H,24,26)(H,25,27)

InChI Key

AOPLRBMUEBGAGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.445

Distribution Coefficient, logD

3.445

Water Solubility, LogSw

-3.91

Polar Surface Area

63.995

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

39.10

D018-0235 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Macl-GPIb alpha Interaction Library (22969 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D018-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D018-0235?
Check Price and Availability of D018-0235, 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 D018-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D018-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D018-0235
  • 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 D018-0235 available by request