D733-0656 Screening compound: ethyl 7'-ethoxy-2'-phenyl-1',10b'-dihydro-1H-spiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]-1-carboxylate

D733-0656 Screening compound: ethyl 7'-ethoxy-2'-phenyl-1',10b'-dihydro-1H-spiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]-1-carboxylate
D733-0656 Screening compound: ethyl 7'-ethoxy-2'-phenyl-1',10b'-dihydro-1H-spiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D733-0656
ethyl 7'-ethoxy-2'-phenyl-1',10b'-dihydro-1H-spiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]-1-carboxylate

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

D733-0656

Molecular Formula

C25H29N3O4 (C25 H29 N3 O4)

Compound Name

ethyl 7'-ethoxy-2'-phenyl-1',10b'-dihydro-1H-spiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]-1-carboxylate

IUPAC name

ethyl 10'-ethoxy-4'-phenyl-8'-oxa-5'6'-diazaspiro[piperidine-47'-tricyclo[7.4.0.0^{26}]tridecane]-1'(9')4'10'12'-tetraene-1-carboxylate

SMILES

CCOC(N(CC1)CCC1(N(C(C1)c2ccc3)N=C1c1ccccc1)Oc2c3OCC)=O

InChI

InChI=1S/C25H29N3O4/c1-3-30-22-12-8-11-19-21-17-20(18-9-6-5-7-10-18)26-28(21)25(32-23(19)22)13-15-27(16-14-25)24(29)31-4-2/h5-12,21H,3-4,13-17H2,1-2H3/t21-/m1/s1

InChI Key

SZGPUAHFKBFGHM-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD07807052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.869

Distribution Coefficient, logD

4.859

Water Solubility, LogSw

-4.61

Polar Surface Area

50.527

Acid Dissociation Constant (pKa)

17.61

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

D733-0656 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D733-0656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D733-0656?
Check Price and Availability of D733-0656, 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 D733-0656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D733-0656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D733-0656
  • 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 D733-0656 available by request