8006-3961 Screening compound: N-[5-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-[(E)-1-(4-methoxyphenyl)methylidene]amine

8006-3961 Screening compound: N-[5-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-[(E)-1-(4-methoxyphenyl)methylidene]amine
8006-3961 Screening compound: N-[5-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-[(E)-1-(4-methoxyphenyl)methylidene]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-3961
N-[5-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-[(E)-1-(4-methoxyphenyl)methylidene]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

8006-3961

Molecular Formula

C18H12F4N2OS (C18 H12 F4 N2 OS)

Compound Name

N-[5-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-[(E)-1-(4-methoxyphenyl)methylidene]amine

IUPAC name

(E)-N-[5-(4-fluorophenyl)-4-(trifluoromethyl)-13-thiazol-2-yl]-1-(4-methoxyphenyl)methanimine

SMILES

COc1ccc(/C=N/c2nc(C(F)(F)F)c(-c(cc3)ccc3F)s2)cc1

InChI

InChI=1S/C18H12F4N2OS/c1-25-14-8-2-11(3-9-14)10-23-17-24-16(18(20,21)22)15(26-17)12-4-6-13(19)7-5-12/h2-10H,1H3

InChI Key

XHNFHCCJSFIIFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.334

Distribution Coefficient, logD

5.334

Water Solubility, LogSw

-5.53

Polar Surface Area

26.455

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

References: we are preparing a list of scientific research reports with 8006-3961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-3961?
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What is the minimum amount of 8006-3961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-3961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-3961
  • 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 8006-3961 available by request