CM4115-5773 Screening compound: 3-(butane-1-sulfonyl)-N-(3-fluorophenyl)-3,7,11-triazaspiro[5.6]dodec-11-en-12-amine

CM4115-5773 Screening compound: 3-(butane-1-sulfonyl)-N-(3-fluorophenyl)-3,7,11-triazaspiro[5.6]dodec-11-en-12-amine
CM4115-5773 Screening compound: 3-(butane-1-sulfonyl)-N-(3-fluorophenyl)-3,7,11-triazaspiro[5.6]dodec-11-en-12-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4115-5773
3-(butane-1-sulfonyl)-N-(3-fluorophenyl)-3,7,11-triazaspiro[5.6]dodec-11-en-12-amine

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

CM4115-5773

Molecular Formula

C19H29FN4O2S (C19 H29 FN4 O2 S)

Compound Name

3-(butane-1-sulfonyl)-N-(3-fluorophenyl)-3,7,11-triazaspiro[5.6]dodec-11-en-12-amine

IUPAC name

3-(butane-1-sulfonyl)-N-(3-fluorophenyl)-3711-triazaspiro[5.6]dodec-11-en-12-amine

SMILES

CCCCS(N(CC1)CCC11NCCCN=C1Nc1cc(F)ccc1)(=O)=O

InChI

InChI=1S/C19H29FN4O2S/c1-2-3-14-27(25,26)24-12-8-19(9-13-24)18(21-10-5-11-22-19)23-17-7-4-6-16(20)15-17/h4,6-7,15,22H,2-3,5,8-14H2,1H3,(H,21,23)

InChI Key

KWUCWOKUIRPUFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30458786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.903

Distribution Coefficient, logD

0.217

Water Solubility, LogSw

-3.37

Polar Surface Area

63.541

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

10.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.16

CM4115-5773 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with CM4115-5773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4115-5773?
Check Price and Availability of CM4115-5773, 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 CM4115-5773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4115-5773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4115-5773
  • 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 CM4115-5773 available by request