5749-0017F Screening compound: 10-(2-hydroxyethyl)-9-methyl-N~12~-(4-methylphenyl)-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-12-carboxamide

5749-0017F Screening compound: 10-(2-hydroxyethyl)-9-methyl-N~12~-(4-methylphenyl)-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-12-carboxamide
5749-0017F Screening compound: 10-(2-hydroxyethyl)-9-methyl-N~12~-(4-methylphenyl)-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 5749-0017F
10-(2-hydroxyethyl)-9-methyl-N~12~-(4-methylphenyl)-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

5749-0017F

Molecular Formula

C22H24N2O4 (C22 H24 N2 O4)

Compound Name

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

IUPAC name

10-(2-hydroxyethyl)-9-methyl-N-(4-methylphenyl)-11-oxo-8-oxa-10-azatricyclo[7.3.1.0^{27}]trideca-246-triene-12-carboxamide

SMILES

CC(CC1C2C(Nc3ccc(C)cc3)=O)(N(CCO)C2=O)Oc2c1cccc2

InChI

InChI=1S/C22H24N2O4/c1-14-7-9-15(10-8-14)23-20(26)19-17-13-22(2,24(11-12-25)21(19)27)28-18-6-4-3-5-16(17)18/h3-10,17,19,25H,11-13H2,1-2H3,(H,23,26)

InChI Key

ZLVLCDILEFVYCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03624217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.600

Distribution Coefficient, logD

2.600

Water Solubility, LogSw

-3.12

Polar Surface Area

61.720

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

36.36

5749-0017F in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 5749-0017F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5749-0017F?
Check Price and Availability of 5749-0017F, 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 5749-0017F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5749-0017F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5749-0017F
  • 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 5749-0017F available by request