8004-2358 Screening compound: (4Z)-1-(4-methoxyphenyl)-2-(methylsulfanyl)-N-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]dec-2-en-4-imine

8004-2358 Screening compound: (4Z)-1-(4-methoxyphenyl)-2-(methylsulfanyl)-N-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]dec-2-en-4-imine
8004-2358 Screening compound: (4Z)-1-(4-methoxyphenyl)-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 8004-2358
(4Z)-1-(4-methoxyphenyl)-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

8004-2358

Molecular Formula

C23H24F3N3OS (C23 H24 F3 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N(C12CCCCC2)C(SC)=N/C1=N\c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C23H24F3N3OS/c1-30-19-11-9-18(10-12-19)29-21(31-2)28-20(22(29)13-4-3-5-14-22)27-17-8-6-7-16(15-17)23(24,25)26/h6-12,15H,3-5,13-14H2,1-2H3

InChI Key

REIGONRQIWHGBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00745372

Chemical and Physical Properties

Saltdata

HI

Molecular Weight

447.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.212

Distribution Coefficient, logD

6.212

Water Solubility, LogSw

-5.66

Polar Surface Area

27.803

Acid Dissociation Constant (pKa)

27.20

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with 8004-2358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-2358?
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What is the minimum amount of 8004-2358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-2358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-2358
  • 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 8004-2358 available by request