D733-0555 Screening compound: 1-acetyl-2'-phenyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]

D733-0555 Screening compound: 1-acetyl-2'-phenyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
D733-0555 Screening compound: 1-acetyl-2'-phenyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] alternative view

Chemical Structure Depiction of ChemDiv screening compound D733-0555
1-acetyl-2'-phenyl-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

D733-0555

Molecular Formula

C22H23N3O2 (C22 H23 N3 O2)

Compound Name

1-acetyl-2'-phenyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]

IUPAC name

1-{4'-phenyl-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=C2c2ccccc2)Oc2c1cccc2)=O

InChI

InChI=1S/C22H23N3O2/c1-16(26)24-13-11-22(12-14-24)25-20(18-9-5-6-10-21(18)27-22)15-19(23-25)17-7-3-2-4-8-17/h2-10,20H,11-15H2,1H3/t20-/m1/s1

InChI Key

KZWBNVWZFMRKQQ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD03959369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.44

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

3.530

Distribution Coefficient, logD

3.530

Water Solubility, LogSw

-3.68

Polar Surface Area

38.047

Acid Dissociation Constant (pKa)

17.61

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

D733-0555 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 D733-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D733-0555?
Check Price and Availability of D733-0555, 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 D733-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D733-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D733-0555
  • 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 D733-0555 available by request