F475-0022 Screening compound: 3-(trifluoromethyl)benzyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate

F475-0022 Screening compound: 3-(trifluoromethyl)benzyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate
F475-0022 Screening compound: 3-(trifluoromethyl)benzyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F475-0022
3-(trifluoromethyl)benzyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate

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

F475-0022

Molecular Formula

C22H17F3N2O4S (C22 H17 F3 N2 O4 S)

Compound Name

3-(trifluoromethyl)benzyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate

IUPAC name

[3-(trifluoromethyl)phenyl]methyl 4-(11-dioxo-34-dihydro-2H-1lambda624-benzothiadiazin-3-yl)benzoate

SMILES

O=C(c1ccc(C(Nc2c3cccc2)NS3(=O)=O)cc1)OCc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C22H17F3N2O4S/c23-22(24,25)17-5-3-4-14(12-17)13-31-21(28)16-10-8-15(9-11-16)20-26-18-6-1-2-7-19(18)32(29,30)27-20/h1-12,20,26-27H,13H2/t20-/m0/s1

InChI Key

UTPUMDDLQZATGA-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14955829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.342

Distribution Coefficient, logD

4.342

Water Solubility, LogSw

-4.63

Polar Surface Area

72.958

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-4.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with F475-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F475-0022?
Check Price and Availability of F475-0022, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F475-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F475-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F475-0022
  • 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 F475-0022 available by request