J030-0604 Screening compound: N~2~,N~2~-diethyl-11-oxo-3-(phenethylamino)-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

J030-0604 Screening compound: N~2~,N~2~-diethyl-11-oxo-3-(phenethylamino)-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
J030-0604 Screening compound: N~2~,N~2~-diethyl-11-oxo-3-(phenethylamino)-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J030-0604
N~2~,N~2~-diethyl-11-oxo-3-(phenethylamino)-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

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

J030-0604

Molecular Formula

C25H27N3O4S (C25 H27 N3 O4 S)

Compound Name

N~2~,N~2~-diethyl-11-oxo-3-(phenethylamino)-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

IUPAC name

NN-diethyl-10-oxo-14-[(2-phenylethyl)amino]-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3571113-hexaene-13-sulfonamide

SMILES

CCN(CC)S(c(cc(c(Oc(cccc1)c1N1)c2)C1=O)c2NCCc1ccccc1)(=O)=O

InChI

InChI=1S/C25H27N3O4S/c1-3-28(4-2)33(30,31)24-16-19-23(32-22-13-9-8-12-20(22)27-25(19)29)17-21(24)26-15-14-18-10-6-5-7-11-18/h5-13,16-17,26H,3-4,14-15H2,1-2H3,(H,27,29)

InChI Key

QHRLHMMUIYQMSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.564

Distribution Coefficient, logD

4.495

Water Solubility, LogSw

-4.42

Polar Surface Area

72.815

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

J030-0604 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Nucleic Acid Ligands (8311 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J030-0604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J030-0604?
Check Price and Availability of J030-0604, 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 J030-0604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J030-0604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J030-0604
  • 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 J030-0604 available by request