8009-1073 Screening compound: (2Z)-4-(3-bromo-4-methoxyphenyl)-3-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazol-2-imine

8009-1073 Screening compound: (2Z)-4-(3-bromo-4-methoxyphenyl)-3-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazol-2-imine
8009-1073 Screening compound: (2Z)-4-(3-bromo-4-methoxyphenyl)-3-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazol-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-1073
(2Z)-4-(3-bromo-4-methoxyphenyl)-3-(2-methylpropyl)-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

8009-1073

Molecular Formula

C21H20BrF3N2OS (C21 H20 BrF3 N2 OS)

Compound Name

(2Z)-4-(3-bromo-4-methoxyphenyl)-3-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazol-2-imine

IUPAC name

(2Z)-4-(3-bromo-4-methoxyphenyl)-3-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-23-dihydro-13-thiazol-2-imine

SMILES

CC(C)CN(C(c(cc1)cc(Br)c1OC)=CS1)/C1=N/c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C21H20BrF3N2OS/c1-13(2)11-27-18(14-7-8-19(28-3)17(22)9-14)12-29-20(27)26-16-6-4-5-15(10-16)21(23,24)25/h4-10,12-13H,11H2,1-3H3

InChI Key

LLVIFDPXTASCJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01461273

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

485.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.406

Distribution Coefficient, logD

7.405

Water Solubility, LogSw

-5.97

Polar Surface Area

19.205

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 8009-1073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-1073?
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What is the minimum amount of 8009-1073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-1073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1073
  • 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 8009-1073 available by request