J030-0596 Screening compound: 3-(cyclopentylamino)-N~2~,N~2~-diethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

J030-0596 Screening compound: 3-(cyclopentylamino)-N~2~,N~2~-diethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
J030-0596 Screening compound: 3-(cyclopentylamino)-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 J030-0596
3-(cyclopentylamino)-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

J030-0596

Molecular Formula

C22H27N3O4S (C22 H27 N3 O4 S)

Compound Name

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

IUPAC name

14-(cyclopentylamino)-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)c2NC1CCCC1)(=O)=O

InChI

InChI=1S/C22H27N3O4S/c1-3-25(4-2)30(27,28)21-13-16-20(14-18(21)23-15-9-5-6-10-15)29-19-12-8-7-11-17(19)24-22(16)26/h7-8,11-15,23H,3-6,9-10H2,1-2H3,(H,24,26)

InChI Key

VZMYPFSODIHXQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.304

Distribution Coefficient, logD

4.235

Water Solubility, LogSw

-4.36

Polar Surface Area

73.065

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

J030-0596 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 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:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J030-0596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J030-0596?
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What is the minimum amount of J030-0596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J030-0596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J030-0596
  • 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 J030-0596 available by request