D733-0594 Screening compound: ethyl 9'-chloro-2'-(2-hydroxyphenyl)-1',10b'-dihydro-1H-spiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]-1-carboxylate

D733-0594 Screening compound: ethyl 9'-chloro-2'-(2-hydroxyphenyl)-1',10b'-dihydro-1H-spiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]-1-carboxylate
D733-0594 Screening compound: ethyl 9'-chloro-2'-(2-hydroxyphenyl)-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 D733-0594
ethyl 9'-chloro-2'-(2-hydroxyphenyl)-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

D733-0594

Molecular Formula

C23H24ClN3O4 (C23 H24 ClN3 O4)

Compound Name

ethyl 9'-chloro-2'-(2-hydroxyphenyl)-1',10b'-dihydro-1H-spiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]-1-carboxylate

IUPAC name

ethyl 12'-chloro-4'-(2-hydroxyphenyl)-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(cccc2)c2O)Oc(cc2)c1cc2Cl)=O

InChI

InChI=1S/C23H24ClN3O4/c1-2-30-22(29)26-11-9-23(10-12-26)27-19(17-13-15(24)7-8-21(17)31-23)14-18(25-27)16-5-3-4-6-20(16)28/h3-8,13,19,28H,2,9-12,14H2,1H3/t19-/m0/s1

InChI Key

GDZLYQBTCCCNGF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD07807005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.341

Distribution Coefficient, logD

5.337

Water Solubility, LogSw

-5.56

Polar Surface Area

60.180

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

D733-0594 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 D733-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D733-0594?
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What is the minimum amount of D733-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D733-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D733-0594
  • 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 D733-0594 available by request