SA12-1264 Screening compound: 3,5-DIMETHYL-4-{[4-(3-PYRIDYL)-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIEN-12-YL]SULFONYL}ISOXAZOLE

SA12-1264 Screening compound: 3,5-DIMETHYL-4-{[4-(3-PYRIDYL)-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIEN-12-YL]SULFONYL}ISOXAZOLE
SA12-1264 Screening compound: 3,5-DIMETHYL-4-{[4-(3-PYRIDYL)-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIEN-12-YL]SULFONYL}ISOXAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound SA12-1264
3,5-DIMETHYL-4-{[4-(3-PYRIDYL)-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIEN-12-YL]SULFONYL}ISOXAZOLE

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

SA12-1264

Molecular Formula

C18H20N6O3S (C18 H20 N6 O3 S)

Compound Name

3,5-DIMETHYL-4-{[4-(3-PYRIDYL)-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIEN-12-YL]SULFONYL}ISOXAZOLE

IUPAC name

12-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-4-(pyridin-3-yl)-35612-tetraazatricyclo[7.2.1.0^{37}]dodeca-46-diene

SMILES

S(c1c(onc1C)C)(N1[C@H]2Cn3c(nnc3C[C@@H]1CC2)c1cnccc1)(=O)=O

InChI

InChI=1S/C18H20N6O3S/c1-11-17(12(2)27-22-11)28(25,26)24-14-5-6-15(24)10-23-16(8-14)20-21-18(23)13-4-3-7-19-9-13/h3-4,7,9,14-15H,5-6,8,10H2,1-2H3

InChI Key

SVVNQZZNIAQGSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32235465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.320

Distribution Coefficient, logD

-0.406

Water Solubility, LogSw

-1.19

Polar Surface Area

88.697

Acid Dissociation Constant (pKa)

18.18

Base Dissociation Constant (pKb)

6.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.44

SA12-1264 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 SA12-1264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA12-1264?
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What is the minimum amount of SA12-1264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA12-1264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA12-1264
  • 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 SA12-1264 available by request