D733-0694 Screening compound: 2-(7'-methoxy-1-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)-4-methylphenol

D733-0694 Screening compound: 2-(7'-methoxy-1-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)-4-methylphenol
D733-0694 Screening compound: 2-(7'-methoxy-1-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)-4-methylphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound D733-0694
2-(7'-methoxy-1-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)-4-methylphenol

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

D733-0694

Molecular Formula

C23H27N3O3 (C23 H27 N3 O3)

Compound Name

2-(7'-methoxy-1-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)-4-methylphenol

IUPAC name

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

SMILES

Cc(cc1)cc(C(CC2c3ccc4)=NN2C2(CCN(C)CC2)Oc3c4OC)c1O

InChI

InChI=1S/C23H27N3O3/c1-15-7-8-20(27)17(13-15)18-14-19-16-5-4-6-21(28-3)22(16)29-23(26(19)24-18)9-11-25(2)12-10-23/h4-8,13,19,27H,9-12,14H2,1-3H3/t19-/m1/s1

InChI Key

ABTSMSBRYGFSQH-LJQANCHMSA-N

MDL Number (MFCD)

MFCD08139069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.260

Distribution Coefficient, logD

2.723

Water Solubility, LogSw

-4.01

Polar Surface Area

48.191

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

8.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

D733-0694 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 D733-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D733-0694?
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What is the minimum amount of D733-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D733-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D733-0694
  • 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 D733-0694 available by request