0954-1171 Screening compound: (4Z)-8-tert-butyl-1-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-2-(methylsulfanyl)-1,3-diazaspiro[4.5]dec-2-en-4-imine

0954-1171 Screening compound: (4Z)-8-tert-butyl-1-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-2-(methylsulfanyl)-1,3-diazaspiro[4.5]dec-2-en-4-imine
0954-1171 Screening compound: (4Z)-8-tert-butyl-1-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-2-(methylsulfanyl)-1,3-diazaspiro[4.5]dec-2-en-4-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0954-1171
(4Z)-8-tert-butyl-1-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-2-(methylsulfanyl)-1,3-diazaspiro[4.5]dec-2-en-4-imine

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

0954-1171

Molecular Formula

C27H34ClN3S (C27 H34 ClN3 S)

Compound Name

(4Z)-8-tert-butyl-1-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-2-(methylsulfanyl)-1,3-diazaspiro[4.5]dec-2-en-4-imine

IUPAC name

(4Z)-8-tert-butyl-1-(4-chlorophenyl)-N-(26-dimethylphenyl)-2-(methylsulfanyl)-13-diazaspiro[4.5]dec-2-en-4-imine

SMILES

CC(C)(C)C(CC1)CCC1(/C(/N=C1SC)=N/c2c(C)cccc2C)N1c(cc1)ccc1Cl

InChI

InChI=1S/C27H34ClN3S/c1-18-8-7-9-19(2)23(18)29-24-27(16-14-20(15-17-27)26(3,4)5)31(25(30-24)32-6)22-12-10-21(28)11-13-22/h7-13,20H,14-17H2,1-6H3

InChI Key

VCVMLWDTGJJHIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536226

Chemical and Physical Properties

Saltdata

HI

Molecular Weight

468.11

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.299

Distribution Coefficient, logD

8.299

Water Solubility, LogSw

-6.78

Polar Surface Area

18.863

Acid Dissociation Constant (pKa)

26.70

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

0954-1171 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0954-1171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0954-1171?
Check Price and Availability of 0954-1171, 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 0954-1171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0954-1171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0954-1171
  • 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 0954-1171 available by request