5749-0010 Screening compound: N~12~,N~12~-diethyl-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-12-carboxamide

5749-0010 Screening compound: N~12~,N~12~-diethyl-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-12-carboxamide
5749-0010 Screening compound: N~12~,N~12~-diethyl-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 5749-0010
N~12~,N~12~-diethyl-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

5749-0010

Molecular Formula

C17H22N2O3 (C17 H22 N2 O3)

Compound Name

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

IUPAC name

NN-diethyl-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0^{27}]trideca-246-triene-12-carboxamide

SMILES

CCN(CC)C(C(C(C1)c(cccc2)c2OC1(C)N1)C1=O)=O

InChI

InChI=1S/C17H22N2O3/c1-4-19(5-2)16(21)14-12-10-17(3,18-15(14)20)22-13-9-7-6-8-11(12)13/h6-9,12,14H,4-5,10H2,1-3H3,(H,18,20)

InChI Key

IQBBFZAIYZOIHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03624213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.812

Distribution Coefficient, logD

1.812

Water Solubility, LogSw

-2.52

Polar Surface Area

48.457

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

52.90

5749-0010 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

CNS MPO Library (28609 compounds)

KRAS-Targeted Library (16000 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
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5749-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5749-0010?
Check Price and Availability of 5749-0010, 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 5749-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5749-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5749-0010
  • 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 5749-0010 available by request