J030-1122 Screening compound: N~2~-ethyl-N~2~,8-dimethyl-11-oxo-3-(4-phenylpiperazino)-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

J030-1122 Screening compound: N~2~-ethyl-N~2~,8-dimethyl-11-oxo-3-(4-phenylpiperazino)-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
J030-1122 Screening compound: N~2~-ethyl-N~2~,8-dimethyl-11-oxo-3-(4-phenylpiperazino)-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J030-1122
N~2~-ethyl-N~2~,8-dimethyl-11-oxo-3-(4-phenylpiperazino)-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

J030-1122

Molecular Formula

C27H30N4O4S (C27 H30 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(C)S(c(cc(c(Oc(ccc(C)c1)c1N1)c2)C1=O)c2N(CC1)CCN1c1ccccc1)(=O)=O

InChI

InChI=1S/C27H30N4O4S/c1-4-29(3)36(33,34)26-17-21-25(35-24-11-10-19(2)16-22(24)28-27(21)32)18-23(26)31-14-12-30(13-15-31)20-8-6-5-7-9-20/h5-11,16-18H,4,12-15H2,1-3H3,(H,28,32)

InChI Key

SGDDEIQNGHUXNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.682

Distribution Coefficient, logD

4.636

Water Solubility, LogSw

-4.37

Polar Surface Area

71.312

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

6.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

J030-1122 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Nucleic Acid Ligands (8311 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
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J030-1122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J030-1122?
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What is the minimum amount of J030-1122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J030-1122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J030-1122
  • 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 J030-1122 available by request