D731-0694 Screening compound: 1-benzyl-2'-(2-furyl)-7'-methoxy-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]

D731-0694 Screening compound: 1-benzyl-2'-(2-furyl)-7'-methoxy-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
D731-0694 Screening compound: 1-benzyl-2'-(2-furyl)-7'-methoxy-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0694
1-benzyl-2'-(2-furyl)-7'-methoxy-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

D731-0694

Molecular Formula

C26H27N3O3 (C26 H27 N3 O3)

Compound Name

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

IUPAC name

1-benzyl-4'-(furan-2-yl)-10'-methoxy-8'-oxa-5'6'-diazaspiro[piperidine-47'-tricyclo[7.4.0.0^{26}]tridecane]-1'(9')4'10'12'-tetraene

SMILES

COc(cccc1C2C3)c1OC1(CCN(Cc4ccccc4)CC1)N2N=C3c1ccco1

InChI

InChI=1S/C26H27N3O3/c1-30-24-10-5-9-20-22-17-21(23-11-6-16-31-23)27-29(22)26(32-25(20)24)12-14-28(15-13-26)18-19-7-3-2-4-8-19/h2-11,16,22H,12-15,17-18H2,1H3/t22-/m1/s1

InChI Key

HVOFPZOJNATGBB-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03290068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.598

Distribution Coefficient, logD

3.950

Water Solubility, LogSw

-4.51

Polar Surface Area

40.285

Acid Dissociation Constant (pKa)

17.70

Base Dissociation Constant (pKb)

7.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

D731-0694 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 D731-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0694?
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What is the minimum amount of D731-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0694
  • 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 D731-0694 available by request