8009-1408 Screening compound: N-[3-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2(3H)-yliden]-N-[3-(trifluoromethyl)phenyl]amine

8009-1408 Screening compound: N-[3-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2(3H)-yliden]-N-[3-(trifluoromethyl)phenyl]amine
8009-1408 Screening compound: N-[3-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2(3H)-yliden]-N-[3-(trifluoromethyl)phenyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-1408
N-[3-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2(3H)-yliden]-N-[3-(trifluoromethyl)phenyl]amine

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

8009-1408

Molecular Formula

C24H16F4N2O2S (C24 H16 F4 N2 O2 S)

Compound Name

N-[3-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2(3H)-yliden]-N-[3-(trifluoromethyl)phenyl]amine

IUPAC name

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

SMILES

FC(c1cccc(/N=C2\SC=C(c(cc3)ccc3F)N2Cc(cc2)cc3c2OCO3)c1)(F)F

InChI

InChI=1S/C24H16F4N2O2S/c25-18-7-5-16(6-8-18)20-13-33-23(29-19-3-1-2-17(11-19)24(26,27)28)30(20)12-15-4-9-21-22(10-15)32-14-31-21/h1-11,13H,12,14H2

InChI Key

XFZOMOPBRUPNQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01461494

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

472.46

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

7.029

Distribution Coefficient, logD

7.029

Water Solubility, LogSw

-6.57

Polar Surface Area

28.419

Acid Dissociation Constant (pKa)

31.86

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8009-1408 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8009-1408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-1408?
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What is the minimum amount of 8009-1408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-1408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1408
  • 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 8009-1408 available by request