J030-1079 Screening compound: 3-(4-bromophenoxy)-N~2~-(2-methoxyethyl)-N~2~,8-dimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

J030-1079 Screening compound: 3-(4-bromophenoxy)-N~2~-(2-methoxyethyl)-N~2~,8-dimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
J030-1079 Screening compound: 3-(4-bromophenoxy)-N~2~-(2-methoxyethyl)-N~2~,8-dimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J030-1079
3-(4-bromophenoxy)-N~2~-(2-methoxyethyl)-N~2~,8-dimethyl-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

J030-1079

Molecular Formula

C24H23BrN2O6S (C24 H23 BrN2 O6 S)

Compound Name

3-(4-bromophenoxy)-N~2~-(2-methoxyethyl)-N~2~,8-dimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

IUPAC name

14-(4-bromophenoxy)-N-(2-methoxyethyl)-N6-dimethyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3571113-hexaene-13-sulfonamide

SMILES

Cc(cc1)cc(NC(c2c3)=O)c1Oc2cc(Oc(cc1)ccc1Br)c3S(N(C)CCOC)(=O)=O

InChI

InChI=1S/C24H23BrN2O6S/c1-15-4-9-20-19(12-15)26-24(28)18-13-23(34(29,30)27(2)10-11-31-3)22(14-21(18)33-20)32-17-7-5-16(25)6-8-17/h4-9,12-14H,10-11H2,1-3H3,(H,26,28)

InChI Key

DKCAVKLMZUVYOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.882

Distribution Coefficient, logD

4.867

Water Solubility, LogSw

-4.52

Polar Surface Area

80.331

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

J030-1079 in Drug Discovery

Included in Screening Libraries

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:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J030-1079 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J030-1079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J030-1079
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J030-1079
  • 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 J030-1079 available by request