K805-0817 Screening compound: 2'-(2-furyl)-7'-methoxy-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]

K805-0817 Screening compound: 2'-(2-furyl)-7'-methoxy-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
K805-0817 Screening compound: 2'-(2-furyl)-7'-methoxy-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine] alternative view

Chemical Structure Depiction of ChemDiv screening compound K805-0817
2'-(2-furyl)-7'-methoxy-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]

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

K805-0817

Molecular Formula

C20H22N2O3 (C20 H22 N2 O3)

Compound Name

2'-(2-furyl)-7'-methoxy-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]

IUPAC name

4'-(furan-2-yl)-10'-methoxy-8'-oxa-5'6'-diazaspiro[cyclohexane-17'-tricyclo[7.4.0.0^{26}]tridecane]-1'(9')4'10'12'-tetraene

SMILES

COc(cccc1C2C3)c1OC1(CCCCC1)N2N=C3c1ccco1

InChI

InChI=1S/C20H22N2O3/c1-23-18-8-5-7-14-16-13-15(17-9-6-12-24-17)21-22(16)20(25-19(14)18)10-3-2-4-11-20/h5-9,12,16H,2-4,10-11,13H2,1H3/t16-/m1/s1

InChI Key

MRXPNSQWHZIUDF-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD05827233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.311

Distribution Coefficient, logD

4.308

Water Solubility, LogSw

-4.49

Polar Surface Area

36.745

Acid Dissociation Constant (pKa)

17.70

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

K805-0817 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K805-0817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K805-0817?
Check Price and Availability of K805-0817, 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 K805-0817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K805-0817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K805-0817
  • 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 K805-0817 available by request