4663-2006 Screening compound: 2'-(4-methoxyphenyl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]

4663-2006 Screening compound: 2'-(4-methoxyphenyl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
4663-2006 Screening compound: 2'-(4-methoxyphenyl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine] alternative view

Chemical Structure Depiction of ChemDiv screening compound 4663-2006
2'-(4-methoxyphenyl)-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

4663-2006

Molecular Formula

C22H24N2O2 (C22 H24 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(CC12)=NN1C1(CCCCC1)Oc1c2cccc1

InChI

InChI=1S/C22H24N2O2/c1-25-17-11-9-16(10-12-17)19-15-20-18-7-3-4-8-21(18)26-22(24(20)23-19)13-5-2-6-14-22/h3-4,7-12,20H,2,5-6,13-15H2,1H3/t20-/m1/s1

InChI Key

FXXZMRBBKWXTPJ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD01542662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.269

Distribution Coefficient, logD

5.268

Water Solubility, LogSw

-5.26

Polar Surface Area

28.396

Acid Dissociation Constant (pKa)

17.61

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

4663-2006 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)

MCE-18 Trends in Medicinal Chemistry (51288 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 4663-2006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4663-2006?
Check Price and Availability of 4663-2006, 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 4663-2006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4663-2006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4663-2006
  • 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 4663-2006 available by request