F475-0803 Screening compound: 2-(4-chlorophenethyl)-3-(4-fluorophenyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

F475-0803 Screening compound: 2-(4-chlorophenethyl)-3-(4-fluorophenyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
F475-0803 Screening compound: 2-(4-chlorophenethyl)-3-(4-fluorophenyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F475-0803
2-(4-chlorophenethyl)-3-(4-fluorophenyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

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

F475-0803

Molecular Formula

C21H18ClFN2O2S (C21 H18 ClFN2 O2 S)

Compound Name

2-(4-chlorophenethyl)-3-(4-fluorophenyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

IUPAC name

2-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-34-dihydro-2H-1lambda624-benzothiadiazine-11-dione

SMILES

O=S1(N(CCc(cc2)ccc2Cl)C(c(cc2)ccc2F)Nc2c1cccc2)=O

InChI

InChI=1S/C21H18ClFN2O2S/c22-17-9-5-15(6-10-17)13-14-25-21(16-7-11-18(23)12-8-16)24-19-3-1-2-4-20(19)28(25,26)27/h1-12,21,24H,13-14H2/t21-/m0/s1

InChI Key

LFKSAINJLOLRDY-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14955904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.965

Distribution Coefficient, logD

4.965

Water Solubility, LogSw

-5.36

Polar Surface Area

43.014

Acid Dissociation Constant (pKa)

16.10

Base Dissociation Constant (pKb)

-5.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

F475-0803 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F475-0803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F475-0803?
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What is the minimum amount of F475-0803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F475-0803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F475-0803
  • 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 F475-0803 available by request