E135-0980 Screening compound: 5-(1,3-benzodioxol-5-yl)-3-[(4-ethylpiperazino)carbonyl]-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

E135-0980 Screening compound: 5-(1,3-benzodioxol-5-yl)-3-[(4-ethylpiperazino)carbonyl]-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
E135-0980 Screening compound: 5-(1,3-benzodioxol-5-yl)-3-[(4-ethylpiperazino)carbonyl]-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-0980
5-(1,3-benzodioxol-5-yl)-3-[(4-ethylpiperazino)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

E135-0980

Molecular Formula

C18H22N4O5S (C18 H22 N4 O5 S)

Compound Name

5-(1,3-benzodioxol-5-yl)-3-[(4-ethylpiperazino)carbonyl]-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

IUPAC name

5-(2H-13-benzodioxol-5-yl)-3-(4-ethylpiperazine-1-carbonyl)-2-methyl-2H-1lambda626-thiadiazine-11-dione

SMILES

CCN(CC1)CCN1C(C(N1C)=CC(c(cc2)cc3c2OCO3)=NS1(=O)=O)=O

InChI

InChI=1S/C18H22N4O5S/c1-3-21-6-8-22(9-7-21)18(23)15-11-14(19-28(24,25)20(15)2)13-4-5-16-17(10-13)27-12-26-16/h4-5,10-11H,3,6-9,12H2,1-2H3

InChI Key

MTQDFRPXVXPICJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.181

Distribution Coefficient, logD

1.052

Water Solubility, LogSw

-2.37

Polar Surface Area

82.528

Acid Dissociation Constant (pKa)

29.03

Base Dissociation Constant (pKb)

6.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with E135-0980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0980?
Check Price and Availability of E135-0980, 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 E135-0980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0980
  • 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 E135-0980 available by request