J030-0761 Screening compound: ethyl 1-[2-(1-azepanylsulfonyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-3-yl]-4-piperidinecarboxylate

J030-0761 Screening compound: ethyl 1-[2-(1-azepanylsulfonyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-3-yl]-4-piperidinecarboxylate
J030-0761 Screening compound: ethyl 1-[2-(1-azepanylsulfonyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-3-yl]-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J030-0761
ethyl 1-[2-(1-azepanylsulfonyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-3-yl]-4-piperidinecarboxylate

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

J030-0761

Molecular Formula

C27H33N3O6S (C27 H33 N3 O6 S)

Compound Name

ethyl 1-[2-(1-azepanylsulfonyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-3-yl]-4-piperidinecarboxylate

IUPAC name

ethyl 1-[13-(azepane-1-sulfonyl)-10-oxo-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3571113-hexaen-14-yl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1c(cc(c1c2)Oc(cccc3)c3NC1=O)c2S(N1CCCCCC1)(=O)=O)=O

InChI

InChI=1S/C27H33N3O6S/c1-2-35-27(32)19-11-15-29(16-12-19)22-18-24-20(26(31)28-21-9-5-6-10-23(21)36-24)17-25(22)37(33,34)30-13-7-3-4-8-14-30/h5-6,9-10,17-19H,2-4,7-8,11-16H2,1H3,(H,28,31)

InChI Key

BEGRRPWVMUUIKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.841

Distribution Coefficient, logD

4.773

Water Solubility, LogSw

-4.44

Polar Surface Area

88.287

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

J030-0761 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 J030-0761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J030-0761?
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What is the minimum amount of J030-0761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J030-0761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J030-0761
  • 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 J030-0761 available by request