D733-0586 Screening compound: 2-(1-ethyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)phenol

D733-0586 Screening compound: 2-(1-ethyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)phenol
D733-0586 Screening compound: 2-(1-ethyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound D733-0586
2-(1-ethyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)phenol

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

D733-0586

Molecular Formula

C22H25N3O2 (C22 H25 N3 O2)

Compound Name

2-(1-ethyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)phenol

IUPAC name

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

SMILES

CCN(CC1)CCC1(N(C1C2)N=C2c(cccc2)c2O)Oc2c1cccc2

InChI

InChI=1S/C22H25N3O2/c1-2-24-13-11-22(12-14-24)25-19(17-8-4-6-10-21(17)27-22)15-18(23-25)16-7-3-5-9-20(16)26/h3-10,19,26H,2,11-15H2,1H3/t19-/m1/s1

InChI Key

KSDCDKPXHAXVHI-LJQANCHMSA-N

MDL Number (MFCD)

MFCD07806997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.586

Distribution Coefficient, logD

2.899

Water Solubility, LogSw

-3.81

Polar Surface Area

40.937

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

9.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

D733-0586 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 D733-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D733-0586?
Check Price and Availability of D733-0586, 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 D733-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D733-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D733-0586
  • 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 D733-0586 available by request