E135-1155 Screening compound: 2-methyl-3-(morpholinocarbonyl)-5-(2-thienyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

E135-1155 Screening compound: 2-methyl-3-(morpholinocarbonyl)-5-(2-thienyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
E135-1155 Screening compound: 2-methyl-3-(morpholinocarbonyl)-5-(2-thienyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-1155
2-methyl-3-(morpholinocarbonyl)-5-(2-thienyl)-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

E135-1155

Molecular Formula

C13H15N3O4S2 (C13 H15 N3 O4 S2)

Compound Name

2-methyl-3-(morpholinocarbonyl)-5-(2-thienyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

IUPAC name

2-methyl-3-(morpholine-4-carbonyl)-5-(thiophen-2-yl)-2H-1lambda626-thiadiazine-11-dione

SMILES

CN(C(C(N1CCOCC1)=O)=CC(c1cccs1)=N1)S1(=O)=O

InChI

InChI=1S/C13H15N3O4S2/c1-15-11(13(17)16-4-6-20-7-5-16)9-10(14-22(15,18)19)12-3-2-8-21-12/h2-3,8-9H,4-7H2,1H3

InChI Key

HGIULPVEBVNMLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.800

Distribution Coefficient, logD

0.800

Water Solubility, LogSw

-1.99

Polar Surface Area

70.803

Acid Dissociation Constant (pKa)

29.01

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

E135-1155 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E135-1155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-1155?
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What is the minimum amount of E135-1155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-1155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-1155
  • 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 E135-1155 available by request