6283-0033 Screening compound: ethyl (1S,5S,6R,7R)-3-(3-chlorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylate

6283-0033 Screening compound: ethyl (1S,5S,6R,7R)-3-(3-chlorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylate
6283-0033 Screening compound: ethyl (1S,5S,6R,7R)-3-(3-chlorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6283-0033
ethyl (1S,5S,6R,7R)-3-(3-chlorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylate

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

6283-0033

Molecular Formula

C17H16ClNO4 (C17 H16 ClNO4)

Compound Name

ethyl (1S,5S,6R,7R)-3-(3-chlorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylate

IUPAC name

ethyl (5S6R7R)-3-(3-chlorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-6-carboxylate

SMILES

CCOC([C@H]([C@@H]1C(N(C2)c3cccc(Cl)c3)=O)[C@@H]3O[C@@]12C=C3)=O

InChI

InChI=1S/C17H16ClNO4/c1-2-22-16(21)13-12-6-7-17(23-12)9-19(15(20)14(13)17)11-5-3-4-10(18)8-11/h3-8,12-14H,2,9H2,1H3/t12-,13+,14+,17+/m1/s1

InChI Key

RIQQBAOFMYKBQJ-FHIRATQRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.836

Distribution Coefficient, logD

2.836

Water Solubility, LogSw

-3.31

Polar Surface Area

44.855

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

-5.92

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

41.20

6283-0033 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with 6283-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6283-0033?
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What is the minimum amount of 6283-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6283-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6283-0033
  • 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 6283-0033 available by request