8004-2360 Screening compound: (4Z)-1-(3-chlorophenyl)-2-(methylsulfanyl)-N-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]dec-2-en-4-imine

8004-2360 Screening compound: (4Z)-1-(3-chlorophenyl)-2-(methylsulfanyl)-N-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]dec-2-en-4-imine
8004-2360 Screening compound: (4Z)-1-(3-chlorophenyl)-2-(methylsulfanyl)-N-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]dec-2-en-4-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-2360
(4Z)-1-(3-chlorophenyl)-2-(methylsulfanyl)-N-[3-(trifluoromethyl)phenyl]-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

8004-2360

Molecular Formula

C22H21ClF3N3S (C22 H21 ClF3 N3 S)

Compound Name

(4Z)-1-(3-chlorophenyl)-2-(methylsulfanyl)-N-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]dec-2-en-4-imine

IUPAC name

(4Z)-1-(3-chlorophenyl)-2-(methylsulfanyl)-N-[3-(trifluoromethyl)phenyl]-13-diazaspiro[4.5]dec-2-en-4-imine

SMILES

CSC(N(C12CCCCC2)c2cccc(Cl)c2)=N/C1=N\c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C22H21ClF3N3S/c1-30-20-28-19(27-17-9-5-7-15(13-17)22(24,25)26)21(11-3-2-4-12-21)29(20)18-10-6-8-16(23)14-18/h5-10,13-14H,2-4,11-12H2,1H3

InChI Key

NULKBPCBRASDKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00745374

Chemical and Physical Properties

Saltdata

HI

Molecular Weight

451.94

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

6.869

Distribution Coefficient, logD

6.869

Water Solubility, LogSw

-6.60

Polar Surface Area

20.259

Acid Dissociation Constant (pKa)

27.20

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 8004-2360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-2360?
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What is the minimum amount of 8004-2360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-2360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-2360
  • 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 8004-2360 available by request