J030-0066 Screening compound: 8-chloro-2-(1-pyrrolidinylsulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one

J030-0066 Screening compound: 8-chloro-2-(1-pyrrolidinylsulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
J030-0066 Screening compound: 8-chloro-2-(1-pyrrolidinylsulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J030-0066
8-chloro-2-(1-pyrrolidinylsulfonyl)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

J030-0066

Molecular Formula

C17H15ClN2O4S (C17 H15 ClN2 O4 S)

Compound Name

8-chloro-2-(1-pyrrolidinylsulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one

IUPAC name

6-chloro-13-(pyrrolidine-1-sulfonyl)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3571113-hexaen-10-one

SMILES

O=C1Nc(cc(cc2)Cl)c2Oc(cc2)c1cc2S(N1CCCC1)(=O)=O

InChI

InChI=1S/C17H15ClN2O4S/c18-11-3-5-16-14(9-11)19-17(21)13-10-12(4-6-15(13)24-16)25(22,23)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8H2,(H,19,21)

InChI Key

WCQRBFBZFJZRST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.337

Distribution Coefficient, logD

2.377

Water Solubility, LogSw

-3.96

Polar Surface Area

64.417

Acid Dissociation Constant (pKa)

6.49

Base Dissociation Constant (pKb)

-4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

J030-0066 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J030-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J030-0066?
Check Price and Availability of J030-0066, 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 J030-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J030-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J030-0066
  • 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 J030-0066 available by request