SA12-0332 Screening compound: 2-(4-FLUOROPHENOXY)-1-(4-PROPYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIEN-12-YL)-1-ETHANONE

SA12-0332 Screening compound: 2-(4-FLUOROPHENOXY)-1-(4-PROPYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIEN-12-YL)-1-ETHANONE
SA12-0332 Screening compound: 2-(4-FLUOROPHENOXY)-1-(4-PROPYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIEN-12-YL)-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound SA12-0332
2-(4-FLUOROPHENOXY)-1-(4-PROPYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIEN-12-YL)-1-ETHANONE

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

SA12-0332

Molecular Formula

C19H23FN4O2 (C19 H23 FN4 O2)

Compound Name

2-(4-FLUOROPHENOXY)-1-(4-PROPYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIEN-12-YL)-1-ETHANONE

IUPAC name

2-(4-fluorophenoxy)-1-{4-propyl-35612-tetraazatricyclo[7.2.1.0^{37}]dodeca-46-dien-12-yl}ethan-1-one

SMILES

n12c(nnc1CCC)C[C@H]1N([C@@H](C2)CC1)C(COc1ccc(F)cc1)=O

InChI

InChI=1S/C19H23FN4O2/c1-2-3-17-21-22-18-10-14-6-7-15(11-23(17)18)24(14)19(25)12-26-16-8-4-13(20)5-9-16/h4-5,8-9,14-15H,2-3,6-7,10-12H2,1H3

InChI Key

ZATWMTHOZUHGFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31998060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.250

Distribution Coefficient, logD

1.250

Water Solubility, LogSw

-1.86

Polar Surface Area

48.744

Acid Dissociation Constant (pKa)

20.56

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.63

SA12-0332 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA12-0332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA12-0332?
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What is the minimum amount of SA12-0332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA12-0332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA12-0332
  • 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 SA12-0332 available by request