J030-0784 Screening compound: 3-(2-bromophenoxy)-N~2~,N~2~,8-trimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

J030-0784 Screening compound: 3-(2-bromophenoxy)-N~2~,N~2~,8-trimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
J030-0784 Screening compound: 3-(2-bromophenoxy)-N~2~,N~2~,8-trimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J030-0784
3-(2-bromophenoxy)-N~2~,N~2~,8-trimethyl-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

J030-0784

Molecular Formula

C22H19BrN2O5S (C22 H19 BrN2 O5 S)

Compound Name

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

IUPAC name

14-(2-bromophenoxy)-NN6-trimethyl-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(cccc1)c1Br)c3S(N(C)C)(=O)=O

InChI

InChI=1S/C22H19BrN2O5S/c1-13-8-9-18-16(10-13)24-22(26)14-11-21(31(27,28)25(2)3)20(12-19(14)30-18)29-17-7-5-4-6-15(17)23/h4-12H,1-3H3,(H,24,26)

InChI Key

OTRRJVXVSUONNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.693

Distribution Coefficient, logD

4.678

Water Solubility, LogSw

-4.47

Polar Surface Area

72.925

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

J030-0784 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 J030-0784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J030-0784?
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What is the minimum amount of J030-0784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J030-0784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J030-0784
  • 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 J030-0784 available by request