F731-0213 Screening compound: phenyl N-(8-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)carbamate

F731-0213 Screening compound: phenyl N-(8-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)carbamate
F731-0213 Screening compound: phenyl N-(8-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound F731-0213
phenyl N-(8-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)carbamate

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

F731-0213

Molecular Formula

C21H16N2O4 (C21 H16 N2 O4)

Compound Name

phenyl N-(8-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-yl)carbamate

IUPAC name

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

SMILES

Cc(cc1)cc(N2)c1Oc(ccc(NC(Oc1ccccc1)=O)c1)c1C2=O

InChI

InChI=1S/C21H16N2O4/c1-13-7-9-19-17(11-13)23-20(24)16-12-14(8-10-18(16)27-19)22-21(25)26-15-5-3-2-4-6-15/h2-12H,1H3,(H,22,25)(H,23,24)

InChI Key

WUVGRQOVJKPVOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08938560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.529

Distribution Coefficient, logD

4.521

Water Solubility, LogSw

-4.45

Polar Surface Area

63.408

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

F731-0213 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with F731-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F731-0213?
Check Price and Availability of F731-0213, 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 F731-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F731-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F731-0213
  • 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 F731-0213 available by request