J030-1017 Screening compound: 3-(4-chlorophenoxy)-N~2~,N~2~-diethyl-8-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

J030-1017 Screening compound: 3-(4-chlorophenoxy)-N~2~,N~2~-diethyl-8-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
J030-1017 Screening compound: 3-(4-chlorophenoxy)-N~2~,N~2~-diethyl-8-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J030-1017
3-(4-chlorophenoxy)-N~2~,N~2~-diethyl-8-methyl-11-oxo-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

J030-1017

Molecular Formula

C24H23ClN2O5S (C24 H23 ClN2 O5 S)

Compound Name

3-(4-chlorophenoxy)-N~2~,N~2~-diethyl-8-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

IUPAC name

14-(4-chlorophenoxy)-NN-diethyl-6-methyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3571113-hexaene-13-sulfonamide

SMILES

CCN(CC)S(c(cc(c(Oc(ccc(C)c1)c1N1)c2)C1=O)c2Oc(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C24H23ClN2O5S/c1-4-27(5-2)33(29,30)23-13-18-21(14-22(23)31-17-9-7-16(25)8-10-17)32-20-11-6-15(3)12-19(20)26-24(18)28/h6-14H,4-5H2,1-3H3,(H,26,28)

InChI Key

UNEXHJMSUZJMQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.285

Distribution Coefficient, logD

5.270

Water Solubility, LogSw

-5.73

Polar Surface Area

70.271

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

J030-1017 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J030-1017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J030-1017?
Check Price and Availability of J030-1017, 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 J030-1017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J030-1017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J030-1017
  • 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 J030-1017 available by request