D731-0708 Screening compound: 2'-(4-fluorophenyl)-7'-methoxy-1-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]

D731-0708 Screening compound: 2'-(4-fluorophenyl)-7'-methoxy-1-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
D731-0708 Screening compound: 2'-(4-fluorophenyl)-7'-methoxy-1-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0708
2'-(4-fluorophenyl)-7'-methoxy-1-methyl-1',10b'-dihydrospiro[piperidine-4,5'-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

D731-0708

Molecular Formula

C22H24FN3O2 (C22 H24 FN3 O2)

Compound Name

2'-(4-fluorophenyl)-7'-methoxy-1-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]

IUPAC name

4'-(4-fluorophenyl)-10'-methoxy-1-methyl-8'-oxa-5'6'-diazaspiro[piperidine-47'-tricyclo[7.4.0.0^{26}]tridecane]-1'(9')4'10'12'-tetraene

SMILES

CN(CC1)CCC1(N(C1C2)N=C2c(cc2)ccc2F)Oc2c1cccc2OC

InChI

InChI=1S/C22H24FN3O2/c1-25-12-10-22(11-13-25)26-19(17-4-3-5-20(27-2)21(17)28-22)14-18(24-26)15-6-8-16(23)9-7-15/h3-9,19H,10-14H2,1-2H3/t19-/m1/s1

InChI Key

NOCOQTQWJUBFJX-LJQANCHMSA-N

MDL Number (MFCD)

MFCD02235493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.45

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

3.714

Distribution Coefficient, logD

2.177

Water Solubility, LogSw

-4.18

Polar Surface Area

31.643

Acid Dissociation Constant (pKa)

17.61

Base Dissociation Constant (pKb)

8.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

D731-0708 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 D731-0708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0708?
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What is the minimum amount of D731-0708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0708
  • 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 D731-0708 available by request