F475-0052 Screening compound: 2-(3-bromobenzyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

F475-0052 Screening compound: 2-(3-bromobenzyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
F475-0052 Screening compound: 2-(3-bromobenzyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F475-0052
2-(3-bromobenzyl)-3-[4-(trifluoromethyl)phenyl]-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

F475-0052

Molecular Formula

C21H16BrF3N2O2S (C21 H16 BrF3 N2 O2 S)

Compound Name

2-(3-bromobenzyl)-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

IUPAC name

2-[(3-bromophenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-34-dihydro-2H-1lambda624-benzothiadiazine-11-dione

SMILES

O=S1(N(Cc2cccc(Br)c2)C(c2ccc(C(F)(F)F)cc2)Nc2c1cccc2)=O

InChI

InChI=1S/C21H16BrF3N2O2S/c22-17-5-3-4-14(12-17)13-27-20(15-8-10-16(11-9-15)21(23,24)25)26-18-6-1-2-7-19(18)30(27,28)29/h1-12,20,26H,13H2/t20-/m0/s1

InChI Key

RESHKFZKXKTKJD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14955846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.34

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

5.698

Distribution Coefficient, logD

5.698

Water Solubility, LogSw

-6.18

Polar Surface Area

43.035

Acid Dissociation Constant (pKa)

16.39

Base Dissociation Constant (pKb)

-4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

F475-0052 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F475-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F475-0052?
Check Price and Availability of F475-0052, 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 F475-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F475-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F475-0052
  • 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 F475-0052 available by request