J030-0793 Screening compound: 3-(cycloheptylamino)-N~2~,N~2~,8-trimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

J030-0793 Screening compound: 3-(cycloheptylamino)-N~2~,N~2~,8-trimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
J030-0793 Screening compound: 3-(cycloheptylamino)-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 J030-0793
3-(cycloheptylamino)-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

J030-0793

Molecular Formula

C23H29N3O4S (C23 H29 N3 O4 S)

Compound Name

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

IUPAC name

14-(cycloheptylamino)-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(NC1CCCCCC1)c3S(N(C)C)(=O)=O

InChI

InChI=1S/C23H29N3O4S/c1-15-10-11-20-18(12-15)25-23(27)17-13-22(31(28,29)26(2)3)19(14-21(17)30-20)24-16-8-6-4-5-7-9-16/h10-14,16,24H,4-9H2,1-3H3,(H,25,27)

InChI Key

COALZDBBDFTKDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.728

Distribution Coefficient, logD

4.682

Water Solubility, LogSw

-4.52

Polar Surface Area

75.597

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

J030-0793 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 J030-0793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J030-0793?
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What is the minimum amount of J030-0793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J030-0793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J030-0793
  • 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 J030-0793 available by request