8017-5832 Screening compound: 10-benzyl-3-phenoxydibenzo[b,f][1,4]oxazepin-11(10H)-one

8017-5832 Screening compound: 10-benzyl-3-phenoxydibenzo[b,f][1,4]oxazepin-11(10H)-one
8017-5832 Screening compound: 10-benzyl-3-phenoxydibenzo[b,f][1,4]oxazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5832
10-benzyl-3-phenoxydibenzo[b,f][1,4]oxazepin-11(10H)-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

8017-5832

Molecular Formula

C26H19NO3 (C26 H19 NO3)

Compound Name

10-benzyl-3-phenoxydibenzo[b,f][1,4]oxazepin-11(10H)-one

IUPAC name

9-benzyl-14-phenoxy-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-10-one

SMILES

O=C1N(Cc2ccccc2)c(cccc2)c2Oc2c1ccc(Oc1ccccc1)c2

InChI

InChI=1S/C26H19NO3/c28-26-22-16-15-21(29-20-11-5-2-6-12-20)17-25(22)30-24-14-8-7-13-23(24)27(26)18-19-9-3-1-4-10-19/h1-17H,18H2

InChI Key

GPTWHCPKOWRIFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06616699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.084

Distribution Coefficient, logD

6.084

Water Solubility, LogSw

-5.95

Polar Surface Area

29.313

Acid Dissociation Constant (pKa)

26.76

Base Dissociation Constant (pKb)

-5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.85

8017-5832 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8017-5832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5832?
Check Price and Availability of 8017-5832, 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 8017-5832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5832
  • 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 8017-5832 available by request