F731-0058 Screening compound: N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-2-(3-methylphenoxy)acetamide

F731-0058 Screening compound: N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-2-(3-methylphenoxy)acetamide
F731-0058 Screening compound: N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-2-(3-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F731-0058
N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-2-(3-methylphenoxy)acetamide

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

F731-0058

Molecular Formula

C23H20N2O4 (C23 H20 N2 O4)

Compound Name

N~1~-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-2-(3-methylphenoxy)acetamide

IUPAC name

N-{9-methyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-13-yl}-2-(3-methylphenoxy)acetamide

SMILES

Cc1cccc(OCC(Nc(cc2)cc3c2Oc(cccc2)c2N(C)C3=O)=O)c1

InChI

InChI=1S/C23H20N2O4/c1-15-6-5-7-17(12-15)28-14-22(26)24-16-10-11-20-18(13-16)23(27)25(2)19-8-3-4-9-21(19)29-20/h3-13H,14H2,1-2H3,(H,24,26)

InChI Key

QHLVSRXBCBVIFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08938341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.115

Distribution Coefficient, logD

4.115

Water Solubility, LogSw

-4.49

Polar Surface Area

52.979

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

F731-0058 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F731-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F731-0058?
Check Price and Availability of F731-0058, 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 F731-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F731-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F731-0058
  • 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 F731-0058 available by request