6283-0093 Screening compound: isobutyl (1S,5S,6R,7R)-3-benzhydryl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylate

6283-0093 Screening compound: isobutyl (1S,5S,6R,7R)-3-benzhydryl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylate
6283-0093 Screening compound: isobutyl (1S,5S,6R,7R)-3-benzhydryl-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 6283-0093
isobutyl (1S,5S,6R,7R)-3-benzhydryl-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

6283-0093

Molecular Formula

C26H27NO4 (C26 H27 NO4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)COC([C@H]([C@@H]1C(N(C2)C(c3ccccc3)c3ccccc3)=O)[C@@H]3O[C@]12C=C3)=O

InChI

InChI=1S/C26H27NO4/c1-17(2)15-30-25(29)21-20-13-14-26(31-20)16-27(24(28)22(21)26)23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,17,20-23H,15-16H2,1-2H3/t20-,21+,22-,26+/m1/s1

InChI Key

WTBODSOUBRHGAW-SRCYTUNASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.042

Distribution Coefficient, logD

5.042

Water Solubility, LogSw

-4.72

Polar Surface Area

44.532

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

-7.99

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

38.50

6283-0093 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

DGK Inhibitors Library (10558 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 6283-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6283-0093?
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What is the minimum amount of 6283-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6283-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6283-0093
  • 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 6283-0093 available by request