8013-0060 Screening compound: 7-benzoyl-4,5-dihydro-1,4-benzoxazepin-3(2H)-one

8013-0060 Screening compound: 7-benzoyl-4,5-dihydro-1,4-benzoxazepin-3(2H)-one
8013-0060 Screening compound: 7-benzoyl-4,5-dihydro-1,4-benzoxazepin-3(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0060
7-benzoyl-4,5-dihydro-1,4-benzoxazepin-3(2H)-one

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

8013-0060

Molecular Formula

C16H13NO3 (C16 H13 NO3)

Compound Name

7-benzoyl-4,5-dihydro-1,4-benzoxazepin-3(2H)-one

IUPAC name

7-benzoyl-2345-tetrahydro-14-benzoxazepin-3-one

SMILES

O=C(c1ccccc1)c(cc1)cc(CN2)c1OCC2=O

InChI

InChI=1S/C16H13NO3/c18-15-10-20-14-7-6-12(8-13(14)9-17-15)16(19)11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,18)

InChI Key

OMIAELUTBHIIHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03196966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.293

Distribution Coefficient, logD

2.293

Water Solubility, LogSw

-2.93

Polar Surface Area

47.361

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8013-0060 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0060?
Check Price and Availability of 8013-0060, 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 8013-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0060
  • 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 8013-0060 available by request