E883-0427 Screening compound: 3-[1,1-dioxo-6-(trifluoromethyl)-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl]-N~1~-(4-fluorobenzyl)propanamide

E883-0427 Screening compound: 3-[1,1-dioxo-6-(trifluoromethyl)-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl]-N~1~-(4-fluorobenzyl)propanamide
E883-0427 Screening compound: 3-[1,1-dioxo-6-(trifluoromethyl)-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl]-N~1~-(4-fluorobenzyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E883-0427
3-[1,1-dioxo-6-(trifluoromethyl)-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl]-N~1~-(4-fluorobenzyl)propanamide

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

E883-0427

Molecular Formula

C18H15F4N3O3S (C18 H15 F4 N3 O3 S)

Compound Name

3-[1,1-dioxo-6-(trifluoromethyl)-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl]-N~1~-(4-fluorobenzyl)propanamide

IUPAC name

3-[11-dioxo-6-(trifluoromethyl)-2H-1lambda624-benzothiadiazin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide

SMILES

O=C(CCC(N1)=Nc(cc(C(F)(F)F)cc2)c2S1(=O)=O)NCc(cc1)ccc1F

InChI

InChI=1S/C18H15F4N3O3S/c19-13-4-1-11(2-5-13)10-23-17(26)8-7-16-24-14-9-12(18(20,21)22)3-6-15(14)29(27,28)25-16/h1-6,9H,7-8,10H2,(H,23,26)(H,24,25)

InChI Key

IAQKTTUTWPKZLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.122

Distribution Coefficient, logD

1.812

Water Solubility, LogSw

-2.98

Polar Surface Area

75.096

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

7.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with E883-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E883-0427?
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What is the minimum amount of E883-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E883-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E883-0427
  • 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 E883-0427 available by request