J030-1217 Screening compound: N~2~-(2,6-dimethylphenyl)-N~2~,7-dimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

J030-1217 Screening compound: N~2~-(2,6-dimethylphenyl)-N~2~,7-dimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
J030-1217 Screening compound: N~2~-(2,6-dimethylphenyl)-N~2~,7-dimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J030-1217
N~2~-(2,6-dimethylphenyl)-N~2~,7-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

J030-1217

Molecular Formula

C23H22N2O4S (C23 H22 N2 O4 S)

Compound Name

N~2~-(2,6-dimethylphenyl)-N~2~,7-dimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

IUPAC name

N-(26-dimethylphenyl)-N5-dimethyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3571113-hexaene-13-sulfonamide

SMILES

Cc(cc1)cc(Oc(cc2)c3cc2S(N(C)c2c(C)cccc2C)(=O)=O)c1NC3=O

InChI

InChI=1S/C23H22N2O4S/c1-14-8-10-19-21(12-14)29-20-11-9-17(13-18(20)23(26)24-19)30(27,28)25(4)22-15(2)6-5-7-16(22)3/h5-13H,1-4H3,(H,24,26)

InChI Key

SXFYKIBBZNHDIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.289

Distribution Coefficient, logD

5.248

Water Solubility, LogSw

-5.28

Polar Surface Area

64.559

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

J030-1217 in Drug Discovery

Included in Screening Libraries

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 J030-1217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J030-1217?
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What is the minimum amount of J030-1217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J030-1217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J030-1217
  • 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 J030-1217 available by request