E135-0397 Screening compound: N~3~-(1,3-benzodioxol-5-yl)-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

E135-0397 Screening compound: N~3~-(1,3-benzodioxol-5-yl)-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
E135-0397 Screening compound: N~3~-(1,3-benzodioxol-5-yl)-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-0397
N~3~-(1,3-benzodioxol-5-yl)-5-(2-methoxyphenyl)-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

E135-0397

Molecular Formula

C19H17N3O6S (C19 H17 N3 O6 S)

Compound Name

N~3~-(1,3-benzodioxol-5-yl)-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-5-(2-methoxyphenyl)-2-methyl-11-dioxo-2H-1lambda626-thiadiazine-3-carboxamide

SMILES

CN(C(C(Nc(cc1)cc2c1OCO2)=O)=CC(c(cccc1)c1OC)=N1)S1(=O)=O

InChI

InChI=1S/C19H17N3O6S/c1-22-15(19(23)20-12-7-8-17-18(9-12)28-11-27-17)10-14(21-29(22,24)25)13-5-3-4-6-16(13)26-2/h3-10H,11H2,1-2H3,(H,20,23)

InChI Key

IQVSUMWACMGRPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.402

Distribution Coefficient, logD

1.718

Water Solubility, LogSw

-3.21

Polar Surface Area

93.064

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with E135-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0397?
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What is the minimum amount of E135-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0397
  • 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 E135-0397 available by request