8017-7858 Screening compound: 3-(3-chlorophenoxy)dibenzo[b,f][1,4]oxazepin-11(10H)-one

8017-7858 Screening compound: 3-(3-chlorophenoxy)dibenzo[b,f][1,4]oxazepin-11(10H)-one
8017-7858 Screening compound: 3-(3-chlorophenoxy)dibenzo[b,f][1,4]oxazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7858
3-(3-chlorophenoxy)dibenzo[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

8017-7858

Molecular Formula

C19H12ClNO3 (C19 H12 ClNO3)

Compound Name

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

IUPAC name

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

SMILES

O=C1Nc(cccc2)c2Oc2c1ccc(Oc1cccc(Cl)c1)c2

InChI

InChI=1S/C19H12ClNO3/c20-12-4-3-5-13(10-12)23-14-8-9-15-18(11-14)24-17-7-2-1-6-16(17)21-19(15)22/h1-11H,(H,21,22)

InChI Key

ZSYKRAYAHWZONK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.134

Distribution Coefficient, logD

5.129

Water Solubility, LogSw

-5.47

Polar Surface Area

39.088

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8017-7858 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with 8017-7858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7858?
Check Price and Availability of 8017-7858, 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 8017-7858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7858
  • 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 8017-7858 available by request