F731-0304 Screening compound: N~1~-(8-chloro-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-3-fluorobenzamide

F731-0304 Screening compound: N~1~-(8-chloro-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-3-fluorobenzamide
F731-0304 Screening compound: N~1~-(8-chloro-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F731-0304
N~1~-(8-chloro-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)-3-fluorobenzamide

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

F731-0304

Molecular Formula

C20H12ClFN2O3 (C20 H12 ClFN2 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cc(F)ccc1)Nc(cc1)cc2c1Oc(ccc(Cl)c1)c1NC2=O

InChI

InChI=1S/C20H12ClFN2O3/c21-12-4-6-18-16(9-12)24-20(26)15-10-14(5-7-17(15)27-18)23-19(25)11-2-1-3-13(22)8-11/h1-10H,(H,23,25)(H,24,26)

InChI Key

XZWJKUQRIALFNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08938669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.78

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

4.553

Distribution Coefficient, logD

4.077

Water Solubility, LogSw

-4.82

Polar Surface Area

55.431

Acid Dissociation Constant (pKa)

7.10

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

F731-0304 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F731-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F731-0304?
Check Price and Availability of F731-0304, 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 F731-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F731-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F731-0304
  • 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 F731-0304 available by request