J030-0133 Screening compound: 3-chloro-N~2~,8-dimethyl-11-oxo-N~2~-phenethyl-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

J030-0133 Screening compound: 3-chloro-N~2~,8-dimethyl-11-oxo-N~2~-phenethyl-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
J030-0133 Screening compound: 3-chloro-N~2~,8-dimethyl-11-oxo-N~2~-phenethyl-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J030-0133
3-chloro-N~2~,8-dimethyl-11-oxo-N~2~-phenethyl-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

J030-0133

Molecular Formula

C23H21ClN2O4S (C23 H21 ClN2 O4 S)

Compound Name

3-chloro-N~2~,8-dimethyl-11-oxo-N~2~-phenethyl-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

IUPAC name

14-chloro-N6-dimethyl-10-oxo-N-(2-phenylethyl)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3571113-hexaene-13-sulfonamide

SMILES

Cc(cc1)cc(NC(c2c3)=O)c1Oc2cc(Cl)c3S(N(C)CCc1ccccc1)(=O)=O

InChI

InChI=1S/C23H21ClN2O4S/c1-15-8-9-20-19(12-15)25-23(27)17-13-22(18(24)14-21(17)30-20)31(28,29)26(2)11-10-16-6-4-3-5-7-16/h3-9,12-14H,10-11H2,1-2H3,(H,25,27)

InChI Key

MDFGFQSTLTYZLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.803

Distribution Coefficient, logD

4.595

Water Solubility, LogSw

-4.88

Polar Surface Area

64.883

Acid Dissociation Constant (pKa)

7.61

Base Dissociation Constant (pKb)

-3.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

J030-0133 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J030-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J030-0133?
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What is the minimum amount of J030-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J030-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J030-0133
  • 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 J030-0133 available by request