5689-0198 Screening compound: isopropyl (1S,5S,7R)-3-cyclohexyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylate

5689-0198 Screening compound: isopropyl (1S,5S,7R)-3-cyclohexyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylate
5689-0198 Screening compound: isopropyl (1S,5S,7R)-3-cyclohexyl-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 5689-0198
isopropyl (1S,5S,7R)-3-cyclohexyl-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

5689-0198

Molecular Formula

C18H25NO4 (C18 H25 NO4)

Compound Name

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

IUPAC name

propan-2-yl (5S7R)-3-cyclohexyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-6-carboxylate

SMILES

CC(C)OC(C([C@@H]1C(N(C2)C3CCCCC3)=O)[C@@H]3O[C@]12C=C3)=O

InChI

InChI=1S/C18H25NO4/c1-11(2)22-17(21)14-13-8-9-18(23-13)10-19(16(20)15(14)18)12-6-4-3-5-7-12/h8-9,11-15H,3-7,10H2,1-2H3/t13-,14?,15-,18+/m1/s1

InChI Key

NBRKDTGLWWFFIZ-NLEXEUNCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.4

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

2.861

Distribution Coefficient, logD

2.861

Water Solubility, LogSw

-3.08

Polar Surface Area

44.367

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

77.78

5689-0198 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5689-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5689-0198?
Check Price and Availability of 5689-0198, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5689-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5689-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5689-0198
  • 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 5689-0198 available by request