SA13-0741 Screening compound: 5-(CYCLOPROPYLMETHYL)-12-[3-(1H-PYRAZOL-1-YL)PROPANOYL]-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODEC-6-EN-4-ONE

SA13-0741 Screening compound: 5-(CYCLOPROPYLMETHYL)-12-[3-(1H-PYRAZOL-1-YL)PROPANOYL]-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODEC-6-EN-4-ONE
SA13-0741 Screening compound: 5-(CYCLOPROPYLMETHYL)-12-[3-(1H-PYRAZOL-1-YL)PROPANOYL]-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODEC-6-EN-4-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound SA13-0741
5-(CYCLOPROPYLMETHYL)-12-[3-(1H-PYRAZOL-1-YL)PROPANOYL]-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODEC-6-EN-4-ONE

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

SA13-0741

Molecular Formula

C18H24N6O2 (C18 H24 N6 O2)

Compound Name

5-(CYCLOPROPYLMETHYL)-12-[3-(1H-PYRAZOL-1-YL)PROPANOYL]-3,5,6,12-TETRAAZATRICYCLO[7.2.1.0~3,7~]DODEC-6-EN-4-ONE

IUPAC name

5-(cyclopropylmethyl)-12-[3-(1H-pyrazol-1-yl)propanoyl]-35612-tetraazatricyclo[7.2.1.0^{37}]dodec-6-en-4-one

SMILES

N12\C(=N/N(C1=O)CC1CC1)\C[C@H]1N([C@@H](C2)CC1)C(CCn1nccc1)=O

InChI

InChI=1S/C18H24N6O2/c25-17(6-9-21-8-1-7-19-21)24-14-4-5-15(24)12-22-16(10-14)20-23(18(22)26)11-13-2-3-13/h1,7-8,13-15H,2-6,9-12H2

InChI Key

RCPMGFVEHIMQKG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.128

Distribution Coefficient, logD

0.127

Water Solubility, LogSw

-0.28

Polar Surface Area

63.546

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

SA13-0741 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA13-0741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA13-0741?
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What is the minimum amount of SA13-0741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA13-0741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA13-0741
  • 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 SA13-0741 available by request