E782-0675 Screening compound: 3-(2-fluorophenyl)-7-(piperidinosulfonyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

E782-0675 Screening compound: 3-(2-fluorophenyl)-7-(piperidinosulfonyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
E782-0675 Screening compound: 3-(2-fluorophenyl)-7-(piperidinosulfonyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E782-0675
3-(2-fluorophenyl)-7-(piperidinosulfonyl)-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

E782-0675

Molecular Formula

C18H18FN3O4S2 (C18 H18 FN3 O4 S2)

Compound Name

3-(2-fluorophenyl)-7-(piperidinosulfonyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

IUPAC name

3-(2-fluorophenyl)-7-(piperidine-1-sulfonyl)-2H-1lambda624-benzothiadiazine-11-dione

SMILES

O=S(c(cc1)cc2c1N=C(c(cccc1)c1F)NS2(=O)=O)(N1CCCCC1)=O

InChI

InChI=1S/C18H18FN3O4S2/c19-15-7-3-2-6-14(15)18-20-16-9-8-13(12-17(16)27(23,24)21-18)28(25,26)22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11H2,(H,20,21)

InChI Key

IMJVQWDAFCRQGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.371

Distribution Coefficient, logD

-1.220

Water Solubility, LogSw

-3.06

Polar Surface Area

82.326

Acid Dissociation Constant (pKa)

5.79

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

E782-0675 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 E782-0675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E782-0675?
Check Price and Availability of E782-0675, 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 E782-0675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E782-0675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E782-0675
  • 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 E782-0675 available by request