D733-0574 Screening compound: ethyl 2'-(4-ethoxyphenyl)-1',10b'-dihydro-1H-spiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]-1-carboxylate

D733-0574 Screening compound: ethyl 2'-(4-ethoxyphenyl)-1',10b'-dihydro-1H-spiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]-1-carboxylate
D733-0574 Screening compound: ethyl 2'-(4-ethoxyphenyl)-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 D733-0574
ethyl 2'-(4-ethoxyphenyl)-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

D733-0574

Molecular Formula

C25H29N3O4 (C25 H29 N3 O4)

Compound Name

ethyl 2'-(4-ethoxyphenyl)-1',10b'-dihydro-1H-spiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]-1-carboxylate

IUPAC name

ethyl 4'-(4-ethoxyphenyl)-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(C1C2)N=C2c(cc2)ccc2OCC)Oc2c1cccc2)=O

InChI

InChI=1S/C25H29N3O4/c1-3-30-19-11-9-18(10-12-19)21-17-22-20-7-5-6-8-23(20)32-25(28(22)26-21)13-15-27(16-14-25)24(29)31-4-2/h5-12,22H,3-4,13-17H2,1-2H3/t22-/m1/s1

InChI Key

IMVXKIBQRYSSAW-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD07806987

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

4.900

Distribution Coefficient, logD

4.899

Water Solubility, LogSw

-4.52

Polar Surface Area

50.756

Acid Dissociation Constant (pKa)

17.61

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

D733-0574 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 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 D733-0574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D733-0574?
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What is the minimum amount of D733-0574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D733-0574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D733-0574
  • 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 D733-0574 available by request