8009-1205 Screening compound: (2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazol-2-imine

8009-1205 Screening compound: (2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazol-2-imine
8009-1205 Screening compound: (2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazol-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-1205
(2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazol-2-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

8009-1205

Molecular Formula

C25H19F3N2O2S (C25 H19 F3 N2 O2 S)

Compound Name

(2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazol-2-imine

IUPAC name

(2Z)-3-[(2H-13-benzodioxol-5-yl)methyl]-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-23-dihydro-13-thiazol-2-imine

SMILES

Cc(cc1)ccc1C(N1Cc(cc2)cc3c2OCO3)=CS/C1=N\c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C25H19F3N2O2S/c1-16-5-8-18(9-6-16)21-14-33-24(29-20-4-2-3-19(12-20)25(26,27)28)30(21)13-17-7-10-22-23(11-17)32-15-31-22/h2-12,14H,13,15H2,1H3

InChI Key

HVSCNDZAAATWOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01461336

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

468.5

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

7.423

Distribution Coefficient, logD

7.423

Water Solubility, LogSw

-5.94

Polar Surface Area

28.419

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 8009-1205 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 8009-1205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1205
  • 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 8009-1205 available by request