D733-0683 Screening compound: 2'-(1,3-benzodioxol-5-yl)-7'-ethoxy-1-isopropyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]

D733-0683 Screening compound: 2'-(1,3-benzodioxol-5-yl)-7'-ethoxy-1-isopropyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
D733-0683 Screening compound: 2'-(1,3-benzodioxol-5-yl)-7'-ethoxy-1-isopropyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] alternative view

Chemical Structure Depiction of ChemDiv screening compound D733-0683
2'-(1,3-benzodioxol-5-yl)-7'-ethoxy-1-isopropyl-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

D733-0683

Molecular Formula

C26H31N3O4 (C26 H31 N3 O4)

Compound Name

2'-(1,3-benzodioxol-5-yl)-7'-ethoxy-1-isopropyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]

IUPAC name

4'-(2H-13-benzodioxol-5-yl)-10'-ethoxy-1-(propan-2-yl)-8'-oxa-5'6'-diazaspiro[piperidine-47'-tricyclo[7.4.0.0^{26}]tridecane]-1'(9')4'10'12'-tetraene

SMILES

CCOc(cccc1C2C3)c1OC(CC1)(CCN1C(C)C)N2N=C3c(cc1)cc2c1OCO2

InChI

InChI=1S/C26H31N3O4/c1-4-30-23-7-5-6-19-21-15-20(18-8-9-22-24(14-18)32-16-31-22)27-29(21)26(33-25(19)23)10-12-28(13-11-26)17(2)3/h5-9,14,17,21H,4,10-13,15-16H2,1-3H3/t21-/m1/s1

InChI Key

NJSUBFFKCQWMJU-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD07807074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.218

Distribution Coefficient, logD

3.173

Water Solubility, LogSw

-5.19

Polar Surface Area

48.726

Acid Dissociation Constant (pKa)

17.61

Base Dissociation Constant (pKb)

9.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D733-0683 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D733-0683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D733-0683?
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What is the minimum amount of D733-0683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D733-0683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D733-0683
  • 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 D733-0683 available by request