SA12-0319 Screening compound: 12-[(4-FLUOROPHENYL)SULFONYL]-4-PROPYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE

SA12-0319 Screening compound: 12-[(4-FLUOROPHENYL)SULFONYL]-4-PROPYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE
SA12-0319 Screening compound: 12-[(4-FLUOROPHENYL)SULFONYL]-4-PROPYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE alternative view

Chemical Structure Depiction of ChemDiv screening compound SA12-0319
12-[(4-FLUOROPHENYL)SULFONYL]-4-PROPYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE

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

SA12-0319

Molecular Formula

C17H21FN4O2S (C17 H21 FN4 O2 S)

Compound Name

12-[(4-FLUOROPHENYL)SULFONYL]-4-PROPYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE

IUPAC name

12-(4-fluorobenzenesulfonyl)-4-propyl-35612-tetraazatricyclo[7.2.1.0^{37}]dodeca-46-diene

SMILES

S(N1[C@H]2Cn3c(nnc3CCC)C[C@@H]1CC2)(c1ccc(cc1)F)(=O)=O

InChI

InChI=1S/C17H21FN4O2S/c1-2-3-16-19-20-17-10-13-6-7-14(11-21(16)17)22(13)25(23,24)15-8-4-12(18)5-9-15/h4-5,8-9,13-14H,2-3,6-7,10-11H2,1H3

InChI Key

BCFRHLSYQINWHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31998054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.591

Distribution Coefficient, logD

1.591

Water Solubility, LogSw

-2.44

Polar Surface Area

58.388

Acid Dissociation Constant (pKa)

20.27

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.94

SA12-0319 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 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:
  • Mimetics

References: we are preparing a list of scientific research reports with SA12-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA12-0319?
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What is the minimum amount of SA12-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA12-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA12-0319
  • 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 SA12-0319 available by request