C915-0129 Screening compound: 1-(4-tert-butylbenzoyl)-3-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione

C915-0129 Screening compound: 1-(4-tert-butylbenzoyl)-3-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
C915-0129 Screening compound: 1-(4-tert-butylbenzoyl)-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 C915-0129
1-(4-tert-butylbenzoyl)-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

C915-0129

Molecular Formula

C25H28FN3OS (C25 H28 FN3 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1C(N(C1(CCN(C)CC1)N=C1c(cc2)ccc2F)C1=S)=O

InChI

InChI=1S/C25H28FN3OS/c1-24(2,3)19-9-5-18(6-10-19)22(30)29-23(31)21(17-7-11-20(26)12-8-17)27-25(29)13-15-28(4)16-14-25/h5-12H,13-16H2,1-4H3

InChI Key

NQRAENRXDKBACU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.607

Distribution Coefficient, logD

1.996

Water Solubility, LogSw

-4.31

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

40.00

C915-0129 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C915-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C915-0129?
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What is the minimum amount of C915-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C915-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C915-0129
  • 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 C915-0129 available by request