E135-0519 Screening compound: 5-(4-fluorophenyl)-3-{[4-(2-methoxyphenyl)piperazino]carbonyl}-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

E135-0519 Screening compound: 5-(4-fluorophenyl)-3-{[4-(2-methoxyphenyl)piperazino]carbonyl}-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
E135-0519 Screening compound: 5-(4-fluorophenyl)-3-{[4-(2-methoxyphenyl)piperazino]carbonyl}-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-0519
5-(4-fluorophenyl)-3-{[4-(2-methoxyphenyl)piperazino]carbonyl}-2-methyl-1lambda~6~,2,6-thiadiazine-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

E135-0519

Molecular Formula

C22H23FN4O4S (C22 H23 FN4 O4 S)

Compound Name

5-(4-fluorophenyl)-3-{[4-(2-methoxyphenyl)piperazino]carbonyl}-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

IUPAC name

5-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-2H-1lambda626-thiadiazine-11-dione

SMILES

CN(C(C(N(CC1)CCN1c(cccc1)c1OC)=O)=CC(c(cc1)ccc1F)=N1)S1(=O)=O

InChI

InChI=1S/C22H23FN4O4S/c1-25-20(15-18(24-32(25,29)30)16-7-9-17(23)10-8-16)22(28)27-13-11-26(12-14-27)19-5-3-4-6-21(19)31-2/h3-10,15H,11-14H2,1-2H3

InChI Key

ZVXRQTJLROFPMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.805

Distribution Coefficient, logD

2.804

Water Solubility, LogSw

-3.36

Polar Surface Area

72.465

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E135-0519 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with E135-0519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0519?
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What is the minimum amount of E135-0519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0519
  • 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 E135-0519 available by request