C915-0226 Screening compound: 1-(3-chlorobenzoyl)-3-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione

C915-0226 Screening compound: 1-(3-chlorobenzoyl)-3-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
C915-0226 Screening compound: 1-(3-chlorobenzoyl)-3-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C915-0226
1-(3-chlorobenzoyl)-3-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione

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

C915-0226

Molecular Formula

C21H19ClFN3OS (C21 H19 ClFN3 OS)

Compound Name

1-(3-chlorobenzoyl)-3-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione

IUPAC name

1-(3-chlorobenzoyl)-3-(4-fluorophenyl)-8-methyl-148-triazaspiro[4.5]dec-3-ene-2-thione

SMILES

CN(CC1)CCC1(N(C(c1cccc(Cl)c1)=O)C1=S)N=C1c(cc1)ccc1F

InChI

InChI=1S/C21H19ClFN3OS/c1-25-11-9-21(10-12-25)24-18(14-5-7-17(23)8-6-14)20(28)26(21)19(27)15-3-2-4-16(22)13-15/h2-8,13H,9-12H2,1H3

InChI Key

ZRBJHDVIVZNMQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.391

Distribution Coefficient, logD

0.780

Water Solubility, LogSw

-3.94

Polar Surface Area

27.282

Acid Dissociation Constant (pKa)

27.43

Base Dissociation Constant (pKb)

10.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C915-0226 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C915-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C915-0226?
Check Price and Availability of C915-0226, 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 C915-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C915-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C915-0226
  • 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 C915-0226 available by request