E135-1183 Screening compound: 1-{[2-methyl-1,1-dioxo-5-(2-thienyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazin-3-yl]carbonyl}-4-piperidinecarboxamide

E135-1183 Screening compound: 1-{[2-methyl-1,1-dioxo-5-(2-thienyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazin-3-yl]carbonyl}-4-piperidinecarboxamide
E135-1183 Screening compound: 1-{[2-methyl-1,1-dioxo-5-(2-thienyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazin-3-yl]carbonyl}-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-1183
1-{[2-methyl-1,1-dioxo-5-(2-thienyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazin-3-yl]carbonyl}-4-piperidinecarboxamide

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

E135-1183

Molecular Formula

C15H18N4O4S2 (C15 H18 N4 O4 S2)

Compound Name

1-{[2-methyl-1,1-dioxo-5-(2-thienyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazin-3-yl]carbonyl}-4-piperidinecarboxamide

IUPAC name

1-[2-methyl-11-dioxo-5-(thiophen-2-yl)-2H-1lambda626-thiadiazine-3-carbonyl]piperidine-4-carboxamide

SMILES

CN(C(C(N(CC1)CCC1C(N)=O)=O)=CC(c1cccs1)=N1)S1(=O)=O

InChI

InChI=1S/C15H18N4O4S2/c1-18-12(15(21)19-6-4-10(5-7-19)14(16)20)9-11(17-25(18,22)23)13-3-2-8-24-13/h2-3,8-10H,4-7H2,1H3,(H2,16,20)

InChI Key

JOGHDLNQDINEGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.338

Distribution Coefficient, logD

0.338

Water Solubility, LogSw

-2.01

Polar Surface Area

96.953

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

E135-1183 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 E135-1183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-1183?
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What is the minimum amount of E135-1183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-1183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-1183
  • 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 E135-1183 available by request