J030-1261 Screening compound: 3-chloro-N~2~-cyclopentyl-N~2~-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

J030-1261 Screening compound: 3-chloro-N~2~-cyclopentyl-N~2~-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
J030-1261 Screening compound: 3-chloro-N~2~-cyclopentyl-N~2~-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J030-1261
3-chloro-N~2~-cyclopentyl-N~2~-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

J030-1261

Molecular Formula

C19H19ClN2O4S (C19 H19 ClN2 O4 S)

Compound Name

3-chloro-N~2~-cyclopentyl-N~2~-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

IUPAC name

14-chloro-N-cyclopentyl-N-methyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3571113-hexaene-13-sulfonamide

SMILES

CN(C1CCCC1)S(c(cc(c(Oc(cccc1)c1N1)c2)C1=O)c2Cl)(=O)=O

InChI

InChI=1S/C19H19ClN2O4S/c1-22(12-6-2-3-7-12)27(24,25)18-10-13-17(11-14(18)20)26-16-9-5-4-8-15(16)21-19(13)23/h4-5,8-12H,2-3,6-7H2,1H3,(H,21,23)

InChI Key

NJOBSWWOQJSIPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.305

Distribution Coefficient, logD

4.019

Water Solubility, LogSw

-4.56

Polar Surface Area

65.360

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

-3.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

J030-1261 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 J030-1261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J030-1261?
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What is the minimum amount of J030-1261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J030-1261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J030-1261
  • 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 J030-1261 available by request