E135-1002 Screening compound: N~3~-(4-acetylphenyl)-5-(2-furyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

E135-1002 Screening compound: N~3~-(4-acetylphenyl)-5-(2-furyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
E135-1002 Screening compound: N~3~-(4-acetylphenyl)-5-(2-furyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-1002
N~3~-(4-acetylphenyl)-5-(2-furyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

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

E135-1002

Molecular Formula

C17H15N3O5S (C17 H15 N3 O5 S)

Compound Name

N~3~-(4-acetylphenyl)-5-(2-furyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

IUPAC name

N-(4-acetylphenyl)-5-(furan-2-yl)-2-methyl-11-dioxo-2H-1lambda626-thiadiazine-3-carboxamide

SMILES

CC(c(cc1)ccc1NC(C(N1C)=CC(c2ccco2)=NS1(=O)=O)=O)=O

InChI

InChI=1S/C17H15N3O5S/c1-11(21)12-5-7-13(8-6-12)18-17(22)15-10-14(16-4-3-9-25-16)19-26(23,24)20(15)2/h3-10H,1-2H3,(H,18,22)

InChI Key

KIBWCSJQUICZSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.466

Distribution Coefficient, logD

0.052

Water Solubility, LogSw

-2.33

Polar Surface Area

90.724

Acid Dissociation Constant (pKa)

6.00

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

E135-1002 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E135-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-1002?
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What is the minimum amount of E135-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-1002
  • 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 E135-1002 available by request