E135-0488 Screening compound: 5-(4-fluorophenyl)-2-methyl-N~3~-[2-(methylsulfanyl)phenyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

E135-0488 Screening compound: 5-(4-fluorophenyl)-2-methyl-N~3~-[2-(methylsulfanyl)phenyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
E135-0488 Screening compound: 5-(4-fluorophenyl)-2-methyl-N~3~-[2-(methylsulfanyl)phenyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-0488
5-(4-fluorophenyl)-2-methyl-N~3~-[2-(methylsulfanyl)phenyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

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

E135-0488

Molecular Formula

C18H16FN3O3S2 (C18 H16 FN3 O3 S2)

Compound Name

5-(4-fluorophenyl)-2-methyl-N~3~-[2-(methylsulfanyl)phenyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

IUPAC name

5-(4-fluorophenyl)-2-methyl-N-[2-(methylsulfanyl)phenyl]-11-dioxo-2H-1lambda626-thiadiazine-3-carboxamide

SMILES

CN(C(C(Nc(cccc1)c1SC)=O)=CC(c(cc1)ccc1F)=N1)S1(=O)=O

InChI

InChI=1S/C18H16FN3O3S2/c1-22-16(18(23)20-14-5-3-4-6-17(14)26-2)11-15(21-27(22,24)25)12-7-9-13(19)10-8-12/h3-11H,1-2H3,(H,20,23)

InChI Key

IQULJENQFDRJNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.126

Distribution Coefficient, logD

2.991

Water Solubility, LogSw

-3.65

Polar Surface Area

67.621

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with E135-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0488?
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What is the minimum amount of E135-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0488
  • 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 E135-0488 available by request