E135-0943 Screening compound: 5-(1,3-benzodioxol-5-yl)-3-[(2,6-dimethylpiperidino)carbonyl]-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

E135-0943 Screening compound: 5-(1,3-benzodioxol-5-yl)-3-[(2,6-dimethylpiperidino)carbonyl]-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
E135-0943 Screening compound: 5-(1,3-benzodioxol-5-yl)-3-[(2,6-dimethylpiperidino)carbonyl]-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-0943
5-(1,3-benzodioxol-5-yl)-3-[(2,6-dimethylpiperidino)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

E135-0943

Molecular Formula

C19H23N3O5S (C19 H23 N3 O5 S)

Compound Name

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

IUPAC name

5-(2H-13-benzodioxol-5-yl)-3-(26-dimethylpiperidine-1-carbonyl)-2-methyl-2H-1lambda626-thiadiazine-11-dione

SMILES

CC(CCCC1C)N1C(C(N1C)=CC(c(cc2)cc3c2OCO3)=NS1(=O)=O)=O

InChI

InChI=1S/C19H23N3O5S/c1-12-5-4-6-13(2)22(12)19(23)16-10-15(20-28(24,25)21(16)3)14-7-8-17-18(9-14)27-11-26-17/h7-10,12-13H,4-6,11H2,1-3H3

InChI Key

RRNWLBIOIBFMRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.529

Distribution Coefficient, logD

2.529

Water Solubility, LogSw

-2.90

Polar Surface Area

77.215

Acid Dissociation Constant (pKa)

26.31

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.40

References: we are preparing a list of scientific research reports with E135-0943 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0943?
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What is the minimum amount of E135-0943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0943
  • 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 E135-0943 available by request