F019-4844 Screening compound: 1-{[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl}-2-(trifluoromethyl)-1H-1,3-benzodiazole

F019-4844 Screening compound: 1-{[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl}-2-(trifluoromethyl)-1H-1,3-benzodiazole
F019-4844 Screening compound: 1-{[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl}-2-(trifluoromethyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F019-4844
1-{[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl}-2-(trifluoromethyl)-1H-1,3-benzodiazole

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

F019-4844

Molecular Formula

C19H12ClF3N6S (C19 H12 ClF3 N6 S)

Compound Name

1-{[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl}-2-(trifluoromethyl)-1H-1,3-benzodiazole

IUPAC name

1-{[6-(4-chlorophenyl)-7H-[124]triazolo[34-b][134]thiadiazin-3-yl]methyl}-2-(trifluoromethyl)-1H-13-benzodiazole

SMILES

FC(c1nc(cccc2)c2n1Cc1nnc2SCC(c(cc3)ccc3Cl)=Nn12)(F)F

InChI

InChI=1S/C19H12ClF3N6S/c20-12-7-5-11(6-8-12)14-10-30-18-26-25-16(29(18)27-14)9-28-15-4-2-1-3-13(15)24-17(28)19(21,22)23/h1-8H,9-10H2

InChI Key

MEJZPPWTCATXQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08684198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.903

Distribution Coefficient, logD

4.903

Water Solubility, LogSw

-5.28

Polar Surface Area

45.135

Acid Dissociation Constant (pKa)

19.07

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

F019-4844 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with F019-4844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F019-4844?
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What is the minimum amount of F019-4844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F019-4844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F019-4844
  • 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 F019-4844 available by request