F731-0246 Screening compound: 3-chloro-N~1~-(8-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)benzamide

F731-0246 Screening compound: 3-chloro-N~1~-(8-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)benzamide
F731-0246 Screening compound: 3-chloro-N~1~-(8-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F731-0246
3-chloro-N~1~-(8-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)benzamide

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

F731-0246

Molecular Formula

C21H15ClN2O3 (C21 H15 ClN2 O3)

Compound Name

3-chloro-N~1~-(8-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)benzamide

IUPAC name

3-chloro-N-{6-methyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-13-yl}benzamide

SMILES

Cc(cc1)cc(N2)c1Oc(ccc(NC(c1cccc(Cl)c1)=O)c1)c1C2=O

InChI

InChI=1S/C21H15ClN2O3/c1-12-5-7-19-17(9-12)24-21(26)16-11-15(6-8-18(16)27-19)23-20(25)13-3-2-4-14(22)10-13/h2-11H,1H3,(H,23,25)(H,24,26)

InChI Key

JPIXRZMZKYKVRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08938600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.677

Distribution Coefficient, logD

4.669

Water Solubility, LogSw

-4.84

Polar Surface Area

55.431

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

F731-0246 in Drug Discovery

Included in Screening Libraries

Proline Kinase Library (2105 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F731-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F731-0246?
Check Price and Availability of F731-0246, 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 F731-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F731-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F731-0246
  • 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 F731-0246 available by request