E135-1046 Screening compound: 5-(2-furyl)-2-methyl-1,1-dioxo-N~3~-(1-phenylethyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

E135-1046 Screening compound: 5-(2-furyl)-2-methyl-1,1-dioxo-N~3~-(1-phenylethyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
E135-1046 Screening compound: 5-(2-furyl)-2-methyl-1,1-dioxo-N~3~-(1-phenylethyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-1046
5-(2-furyl)-2-methyl-1,1-dioxo-N~3~-(1-phenylethyl)-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

E135-1046

Molecular Formula

C17H17N3O4S (C17 H17 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(c1ccccc1)NC(C(N1C)=CC(c2ccco2)=NS1(=O)=O)=O

InChI

InChI=1S/C17H17N3O4S/c1-12(13-7-4-3-5-8-13)18-17(21)15-11-14(16-9-6-10-24-16)19-25(22,23)20(15)2/h3-12H,1-2H3,(H,18,21)/t12-/m0/s1

InChI Key

SVLMPPHQBBGLCU-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14841045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.920

Distribution Coefficient, logD

1.891

Water Solubility, LogSw

-2.53

Polar Surface Area

77.382

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

E135-1046 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E135-1046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-1046?
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What is the minimum amount of E135-1046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-1046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-1046
  • 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 E135-1046 available by request