E135-0518 Screening compound: 3-[(4-benzylpiperazino)carbonyl]-5-(4-fluorophenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

E135-0518 Screening compound: 3-[(4-benzylpiperazino)carbonyl]-5-(4-fluorophenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
E135-0518 Screening compound: 3-[(4-benzylpiperazino)carbonyl]-5-(4-fluorophenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-0518
3-[(4-benzylpiperazino)carbonyl]-5-(4-fluorophenyl)-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

E135-0518

Molecular Formula

C22H23FN4O3S (C22 H23 FN4 O3 S)

Compound Name

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

IUPAC name

3-(4-benzylpiperazine-1-carbonyl)-5-(4-fluorophenyl)-2-methyl-2H-1lambda626-thiadiazine-11-dione

SMILES

CN(C(C(N1CCN(Cc2ccccc2)CC1)=O)=CC(c(cc1)ccc1F)=N1)S1(=O)=O

InChI

InChI=1S/C22H23FN4O3S/c1-25-21(15-20(24-31(25,29)30)18-7-9-19(23)10-8-18)22(28)27-13-11-26(12-14-27)16-17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3

InChI Key

IQYMQCTWASPOGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.485

Distribution Coefficient, logD

2.474

Water Solubility, LogSw

-2.60

Polar Surface Area

65.416

Acid Dissociation Constant (pKa)

28.73

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with E135-0518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0518?
Check Price and Availability of E135-0518, 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 E135-0518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0518
  • 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 E135-0518 available by request