D733-0579 Screening compound: 1-acetyl-2'-(1,3-benzodioxol-5-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]

D733-0579 Screening compound: 1-acetyl-2'-(1,3-benzodioxol-5-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
D733-0579 Screening compound: 1-acetyl-2'-(1,3-benzodioxol-5-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] alternative view

Chemical Structure Depiction of ChemDiv screening compound D733-0579
1-acetyl-2'-(1,3-benzodioxol-5-yl)-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

D733-0579

Molecular Formula

C23H23N3O4 (C23 H23 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(N(CC1)CCC1(N(C1C2)N=C2c(cc2)cc3c2OCO3)Oc2c1cccc2)=O

InChI

InChI=1S/C23H23N3O4/c1-15(27)25-10-8-23(9-11-25)26-19(17-4-2-3-5-20(17)30-23)13-18(24-26)16-6-7-21-22(12-16)29-14-28-21/h2-7,12,19H,8-11,13-14H2,1H3/t19-/m1/s1

InChI Key

DRHQMAUEWDHYHB-LJQANCHMSA-N

MDL Number (MFCD)

MFCD07806990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.532

Distribution Coefficient, logD

3.532

Water Solubility, LogSw

-3.71

Polar Surface Area

55.163

Acid Dissociation Constant (pKa)

17.61

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

D733-0579 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 D733-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D733-0579?
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What is the minimum amount of D733-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D733-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D733-0579
  • 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 D733-0579 available by request