K805-0835 Screening compound: 9'-chloro-2'-(4-fluorophenyl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]

K805-0835 Screening compound: 9'-chloro-2'-(4-fluorophenyl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
K805-0835 Screening compound: 9'-chloro-2'-(4-fluorophenyl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine] alternative view

Chemical Structure Depiction of ChemDiv screening compound K805-0835
9'-chloro-2'-(4-fluorophenyl)-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

K805-0835

Molecular Formula

C21H20ClFN2O (C21 H20 ClFN2 O)

Compound Name

9'-chloro-2'-(4-fluorophenyl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]

IUPAC name

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

SMILES

Fc(cc1)ccc1C(CC12)=NN1C1(CCCCC1)Oc(cc1)c2cc1Cl

InChI

InChI=1S/C21H20ClFN2O/c22-15-6-9-20-17(12-15)19-13-18(14-4-7-16(23)8-5-14)24-25(19)21(26-20)10-2-1-3-11-21/h4-9,12,19H,1-3,10-11,13H2/t19-/m0/s1

InChI Key

VFCZMFYOHRRVON-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02671387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.85

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.959

Distribution Coefficient, logD

5.959

Water Solubility, LogSw

-6.37

Polar Surface Area

20.852

Acid Dissociation Constant (pKa)

17.22

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

K805-0835 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 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
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K805-0835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K805-0835?
Check Price and Availability of K805-0835, 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 K805-0835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K805-0835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K805-0835
  • 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 K805-0835 available by request