SA12-0043 Screening compound: 3-CYCLOPENTYL-1-(4-METHYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIEN-12-YL)-1-PROPANONE

SA12-0043 Screening compound: 3-CYCLOPENTYL-1-(4-METHYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIEN-12-YL)-1-PROPANONE
SA12-0043 Screening compound: 3-CYCLOPENTYL-1-(4-METHYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIEN-12-YL)-1-PROPANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound SA12-0043
3-CYCLOPENTYL-1-(4-METHYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIEN-12-YL)-1-PROPANONE

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

SA12-0043

Molecular Formula

C17H26N4O (C17 H26 N4 O)

Compound Name

3-CYCLOPENTYL-1-(4-METHYL-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODECA-4,6-DIEN-12-YL)-1-PROPANONE

IUPAC name

3-cyclopentyl-1-{4-methyl-35612-tetraazatricyclo[7.2.1.0^{37}]dodeca-46-dien-12-yl}propan-1-one

SMILES

n12c(nnc1C)C[C@H]1N([C@@H](C2)CC1)C(=O)CCC1CCCC1

InChI

InChI=1S/C17H26N4O/c1-12-18-19-16-10-14-7-8-15(11-20(12)16)21(14)17(22)9-6-13-4-2-3-5-13/h13-15H,2-11H2,1H3

InChI Key

WZSPAMMLUZAZCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31999477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.780

Distribution Coefficient, logD

0.779

Water Solubility, LogSw

-0.64

Polar Surface Area

41.603

Acid Dissociation Constant (pKa)

19.98

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

82.35

SA12-0043 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA12-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA12-0043?
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What is the minimum amount of SA12-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA12-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA12-0043
  • 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 SA12-0043 available by request