J030-0712 Screening compound: ethyl 1-(2-{[ethyl(methyl)amino]sulfonyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-3-yl)-4-piperidinecarboxylate

J030-0712 Screening compound: ethyl 1-(2-{[ethyl(methyl)amino]sulfonyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-3-yl)-4-piperidinecarboxylate
J030-0712 Screening compound: ethyl 1-(2-{[ethyl(methyl)amino]sulfonyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-3-yl)-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J030-0712
ethyl 1-(2-{[ethyl(methyl)amino]sulfonyl}-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

J030-0712

Molecular Formula

C24H29N3O6S (C24 H29 N3 O6 S)

Compound Name

ethyl 1-(2-{[ethyl(methyl)amino]sulfonyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-3-yl)-4-piperidinecarboxylate

IUPAC name

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

SMILES

CCN(C)S(c(cc(c(Oc(cccc1)c1N1)c2)C1=O)c2N(CC1)CCC1C(OCC)=O)(=O)=O

InChI

InChI=1S/C24H29N3O6S/c1-4-26(3)34(30,31)22-14-17-21(33-20-9-7-6-8-18(20)25-23(17)28)15-19(22)27-12-10-16(11-13-27)24(29)32-5-2/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,25,28)

InChI Key

DBTPBJVETWKZHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27220335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.876

Distribution Coefficient, logD

3.808

Water Solubility, LogSw

-3.91

Polar Surface Area

88.806

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

J030-0712 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 J030-0712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J030-0712?
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What is the minimum amount of J030-0712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J030-0712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J030-0712
  • 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 J030-0712 available by request