D018-0094 Screening compound: N~12~-(2,5-dimethoxyphenyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-12-carboxamide

D018-0094 Screening compound: N~12~-(2,5-dimethoxyphenyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-12-carboxamide
D018-0094 Screening compound: N~12~-(2,5-dimethoxyphenyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-12-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D018-0094
N~12~-(2,5-dimethoxyphenyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-12-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

D018-0094

Molecular Formula

C21H22N2O5 (C21 H22 N2 O5)

Compound Name

N~12~-(2,5-dimethoxyphenyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-12-carboxamide

IUPAC name

N-(25-dimethoxyphenyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0^{27}]trideca-246-triene-12-carboxamide

SMILES

CC(CC1C2C(Nc(cc(cc3)OC)c3OC)=O)(NC2=O)Oc2c1cccc2

InChI

InChI=1S/C21H22N2O5/c1-21-11-14(13-6-4-5-7-16(13)28-21)18(20(25)23-21)19(24)22-15-10-12(26-2)8-9-17(15)27-3/h4-10,14,18H,11H2,1-3H3,(H,22,24)(H,23,25)

InChI Key

WYPHZBJMTCGCRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.639

Distribution Coefficient, logD

2.630

Water Solubility, LogSw

-3.20

Polar Surface Area

70.093

Acid Dissociation Constant (pKa)

9.08

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.30

D018-0094 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D018-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D018-0094?
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What is the minimum amount of D018-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D018-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D018-0094
  • 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 D018-0094 available by request