D733-0696 Screening compound: 2-(1-acetyl-7'-methoxy-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)-4-methylphenol

D733-0696 Screening compound: 2-(1-acetyl-7'-methoxy-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)-4-methylphenol
D733-0696 Screening compound: 2-(1-acetyl-7'-methoxy-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 D733-0696
2-(1-acetyl-7'-methoxy-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

D733-0696

Molecular Formula

C24H27N3O4 (C24 H27 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(N(CC1)CCC1(N(C(C1)c2ccc3)N=C1c(cc(C)cc1)c1O)Oc2c3OC)=O

InChI

InChI=1S/C24H27N3O4/c1-15-7-8-21(29)18(13-15)19-14-20-17-5-4-6-22(30-3)23(17)31-24(27(20)25-19)9-11-26(12-10-24)16(2)28/h4-8,13,20,29H,9-12,14H2,1-3H3/t20-/m1/s1

InChI Key

FEPDENJGSZGYHQ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD08139071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.136

Distribution Coefficient, logD

4.127

Water Solubility, LogSw

-3.98

Polar Surface Area

61.910

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

D733-0696 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 D733-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D733-0696?
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What is the minimum amount of D733-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D733-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D733-0696
  • 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 D733-0696 available by request