8014-1822 Screening compound: 8-[2,2-dimethyl-5-(methylsulfanyl)-3,4-dihydro-2H-pyrrol-4-ylidene]-3,3,6,10-tetramethyl-1-(methylsulfanyl)-2-azaspiro[4.5]deca-1,6,9-triene

8014-1822 Screening compound: 8-[2,2-dimethyl-5-(methylsulfanyl)-3,4-dihydro-2H-pyrrol-4-ylidene]-3,3,6,10-tetramethyl-1-(methylsulfanyl)-2-azaspiro[4.5]deca-1,6,9-triene
8014-1822 Screening compound: 8-[2,2-dimethyl-5-(methylsulfanyl)-3,4-dihydro-2H-pyrrol-4-ylidene]-3,3,6,10-tetramethyl-1-(methylsulfanyl)-2-azaspiro[4.5]deca-1,6,9-triene alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1822
8-[2,2-dimethyl-5-(methylsulfanyl)-3,4-dihydro-2H-pyrrol-4-ylidene]-3,3,6,10-tetramethyl-1-(methylsulfanyl)-2-azaspiro[4.5]deca-1,6,9-triene

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

8014-1822

Molecular Formula

C21H30N2S2 (C21 H30 N2 S2)

Compound Name

8-[2,2-dimethyl-5-(methylsulfanyl)-3,4-dihydro-2H-pyrrol-4-ylidene]-3,3,6,10-tetramethyl-1-(methylsulfanyl)-2-azaspiro[4.5]deca-1,6,9-triene

IUPAC name

8-[22-dimethyl-5-(methylsulfanyl)-34-dihydro-2H-pyrrol-4-ylidene]-33610-tetramethyl-1-(methylsulfanyl)-2-azaspiro[4.5]deca-169-triene

SMILES

CC(C)(CC1(C(C)=C2)C(C)=CC2=C2C(SC)=NC(C)(C)C2)N=C1SC

InChI

InChI=1S/C21H30N2S2/c1-13-9-15(16-11-19(3,4)22-17(16)24-7)10-14(2)21(13)12-20(5,6)23-18(21)25-8/h9-10H,11-12H2,1-8H3

InChI Key

GAJDBZLQNNQQKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.780

Distribution Coefficient, logD

4.780

Water Solubility, LogSw

-4.53

Polar Surface Area

17.746

Acid Dissociation Constant (pKa)

28.44

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

References: we are preparing a list of scientific research reports with 8014-1822 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1822
ChemDiv sends parcels with Express services (UPS, WC).
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  • 2–4 weeks for large selections
Delivery formats for 8014-1822
  • 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 8014-1822 available by request