J030-0249 Screening compound: 3-chloro-2-(2,3-dihydro-1H-indol-1-ylsulfonyl)-7-methyldibenzo[b,f][1,4]oxazepin-11(10H)-one

J030-0249 Screening compound: 3-chloro-2-(2,3-dihydro-1H-indol-1-ylsulfonyl)-7-methyldibenzo[b,f][1,4]oxazepin-11(10H)-one
J030-0249 Screening compound: 3-chloro-2-(2,3-dihydro-1H-indol-1-ylsulfonyl)-7-methyldibenzo[b,f][1,4]oxazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J030-0249
3-chloro-2-(2,3-dihydro-1H-indol-1-ylsulfonyl)-7-methyldibenzo[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

J030-0249

Molecular Formula

C22H17ClN2O4S (C22 H17 ClN2 O4 S)

Compound Name

3-chloro-2-(2,3-dihydro-1H-indol-1-ylsulfonyl)-7-methyldibenzo[b,f][1,4]oxazepin-11(10H)-one

IUPAC name

14-chloro-13-(23-dihydro-1H-indole-1-sulfonyl)-5-methyl-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3571113-hexaen-10-one

SMILES

Cc(cc1)cc(Oc(c2c3)cc(Cl)c3S(N(CC3)c4c3cccc4)(=O)=O)c1NC2=O

InChI

InChI=1S/C22H17ClN2O4S/c1-13-6-7-17-20(10-13)29-19-12-16(23)21(11-15(19)22(26)24-17)30(27,28)25-9-8-14-4-2-3-5-18(14)25/h2-7,10-12H,8-9H2,1H3,(H,24,26)

InChI Key

WBSACFPKCBKPRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.903

Distribution Coefficient, logD

4.631

Water Solubility, LogSw

-4.89

Polar Surface Area

63.858

Acid Dissociation Constant (pKa)

7.46

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

J030-0249 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with J030-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J030-0249?
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What is the minimum amount of J030-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J030-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J030-0249
  • 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 J030-0249 available by request