SA12-0904 Screening compound: 12-[(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)METHYL]-4-PHENYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE

SA12-0904 Screening compound: 12-[(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)METHYL]-4-PHENYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE
SA12-0904 Screening compound: 12-[(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)METHYL]-4-PHENYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE alternative view

Chemical Structure Depiction of ChemDiv screening compound SA12-0904
12-[(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)METHYL]-4-PHENYL-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

SA12-0904

Molecular Formula

C21H26N6 (C21 H26 N6)

Compound Name

12-[(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)METHYL]-4-PHENYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIENE

IUPAC name

12-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-4-phenyl-35612-tetraazatricyclo[7.2.1.0^{37}]dodeca-46-diene

SMILES

n12c(nnc1c1ccccc1)C[C@H]1N(Cc3c(n(nc3)CC)C)[C@@H](C2)CC1

InChI

InChI=1S/C21H26N6/c1-3-27-15(2)17(12-22-27)13-25-18-9-10-19(25)14-26-20(11-18)23-24-21(26)16-7-5-4-6-8-16/h4-8,12,18-19H,3,9-11,13-14H2,1-2H3

InChI Key

OJZKNMAUVNMHND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31972055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.753

Distribution Coefficient, logD

0.309

Water Solubility, LogSw

-1.09

Polar Surface Area

41.865

Acid Dissociation Constant (pKa)

18.40

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.60

SA12-0904 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with SA12-0904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA12-0904?
Check Price and Availability of SA12-0904, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SA12-0904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA12-0904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA12-0904
  • 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 SA12-0904 available by request