J030-0576 Screening compound: 3-(4-chlorophenoxy)-N~2~,N~2~-diethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

J030-0576 Screening compound: 3-(4-chlorophenoxy)-N~2~,N~2~-diethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
J030-0576 Screening compound: 3-(4-chlorophenoxy)-N~2~,N~2~-diethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J030-0576
3-(4-chlorophenoxy)-N~2~,N~2~-diethyl-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

J030-0576

Molecular Formula

C23H21ClN2O5S (C23 H21 ClN2 O5 S)

Compound Name

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

IUPAC name

14-(4-chlorophenoxy)-NN-diethyl-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(cccc1)c1N1)c2)C1=O)c2Oc(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C23H21ClN2O5S/c1-3-26(4-2)32(28,29)22-13-17-20(14-21(22)30-16-11-9-15(24)10-12-16)31-19-8-6-5-7-18(19)25-23(17)27/h5-14H,3-4H2,1-2H3,(H,25,27)

InChI Key

GKHOIPAYOQHFKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.95

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

5.201

Distribution Coefficient, logD

5.178

Water Solubility, LogSw

-5.51

Polar Surface Area

70.271

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

-3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

J030-0576 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral HBV Library (10007 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
  • 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 J030-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J030-0576?
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What is the minimum amount of J030-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J030-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J030-0576
  • 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 J030-0576 available by request