8006-8330 Screening compound: (4Z)-1-(4-bromophenyl)-N-(3-methylphenyl)-2-(methylsulfanyl)-1,3-diazaspiro[4.5]dec-2-en-4-imine

8006-8330 Screening compound: (4Z)-1-(4-bromophenyl)-N-(3-methylphenyl)-2-(methylsulfanyl)-1,3-diazaspiro[4.5]dec-2-en-4-imine
8006-8330 Screening compound: (4Z)-1-(4-bromophenyl)-N-(3-methylphenyl)-2-(methylsulfanyl)-1,3-diazaspiro[4.5]dec-2-en-4-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8330
(4Z)-1-(4-bromophenyl)-N-(3-methylphenyl)-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

8006-8330

Molecular Formula

C22H24BrN3S (C22 H24 BrN3 S)

Compound Name

(4Z)-1-(4-bromophenyl)-N-(3-methylphenyl)-2-(methylsulfanyl)-1,3-diazaspiro[4.5]dec-2-en-4-imine

IUPAC name

(4Z)-1-(4-bromophenyl)-N-(3-methylphenyl)-2-(methylsulfanyl)-13-diazaspiro[4.5]dec-2-en-4-imine

SMILES

Cc1cccc(/N=C(/C2(CCCCC2)N2c(cc3)ccc3Br)\N=C2SC)c1

InChI

InChI=1S/C22H24BrN3S/c1-16-7-6-8-18(15-16)24-20-22(13-4-3-5-14-22)26(21(25-20)27-2)19-11-9-17(23)10-12-19/h6-12,15H,3-5,13-14H2,1-2H3

InChI Key

QMMYSSIOPBBGDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00826855

Chemical and Physical Properties

Saltdata

HI

Molecular Weight

442.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.706

Distribution Coefficient, logD

6.706

Water Solubility, LogSw

-5.75

Polar Surface Area

20.259

Acid Dissociation Constant (pKa)

27.20

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 8006-8330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8330?
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What is the minimum amount of 8006-8330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8330
  • 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 8006-8330 available by request