J030-0927 Screening compound: 3-[4-(2,3-dimethylphenyl)piperazino]-8-methyl-2-(morpholinosulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one

J030-0927 Screening compound: 3-[4-(2,3-dimethylphenyl)piperazino]-8-methyl-2-(morpholinosulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
J030-0927 Screening compound: 3-[4-(2,3-dimethylphenyl)piperazino]-8-methyl-2-(morpholinosulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J030-0927
3-[4-(2,3-dimethylphenyl)piperazino]-8-methyl-2-(morpholinosulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one

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

J030-0927

Molecular Formula

C30H34N4O5S (C30 H34 N4 O5 S)

Compound Name

3-[4-(2,3-dimethylphenyl)piperazino]-8-methyl-2-(morpholinosulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one

IUPAC name

14-[4-(23-dimethylphenyl)piperazin-1-yl]-6-methyl-13-(morpholine-4-sulfonyl)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3571113-hexaen-10-one

SMILES

Cc(cc1)cc(NC(c2c3)=O)c1Oc2cc(N(CC1)CCN1c1c(C)c(C)ccc1)c3S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C30H34N4O5S/c1-20-7-8-27-24(17-20)31-30(35)23-18-29(40(36,37)34-13-15-38-16-14-34)26(19-28(23)39-27)33-11-9-32(10-12-33)25-6-4-5-21(2)22(25)3/h4-8,17-19H,9-16H2,1-3H3,(H,31,35)

InChI Key

IAPGNUGVGMUAEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.286

Distribution Coefficient, logD

5.240

Water Solubility, LogSw

-5.29

Polar Surface Area

78.070

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.70

J030-0927 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

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:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J030-0927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J030-0927?
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What is the minimum amount of J030-0927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J030-0927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J030-0927
  • 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 J030-0927 available by request