8018-1078 Screening compound: 10-(2-methoxyethyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2(7),3,5-triene-12-carboxylic acid

8018-1078 Screening compound: 10-(2-methoxyethyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2(7),3,5-triene-12-carboxylic acid
8018-1078 Screening compound: 10-(2-methoxyethyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2(7),3,5-triene-12-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1078
10-(2-methoxyethyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2(7),3,5-triene-12-carboxylic acid

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

8018-1078

Molecular Formula

C16H19NO5 (C16 H19 NO5)

Compound Name

10-(2-methoxyethyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2(7),3,5-triene-12-carboxylic acid

IUPAC name

10-(2-methoxyethyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0^{27}]trideca-2(7)35-triene-12-carboxylic acid

SMILES

CC(CC1C2C(O)=O)(N(CCOC)C2=O)Oc2c1cccc2

InChI

InChI=1S/C16H19NO5/c1-16-9-11(10-5-3-4-6-12(10)22-16)13(15(19)20)14(18)17(16)7-8-21-2/h3-6,11,13H,7-9H2,1-2H3,(H,19,20)

InChI Key

ANWDCYJXIAXLRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.920

Distribution Coefficient, logD

-3.047

Water Solubility, LogSw

-2.09

Polar Surface Area

58.724

Acid Dissociation Constant (pKa)

3.43

Base Dissociation Constant (pKb)

-4.66

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

8018-1078 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-1078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1078?
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What is the minimum amount of 8018-1078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1078
  • 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 8018-1078 available by request