E135-0891 Screening compound: 5-(2,5-dimethoxyphenyl)-N~3~-(2-methoxy-1-methylethyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

E135-0891 Screening compound: 5-(2,5-dimethoxyphenyl)-N~3~-(2-methoxy-1-methylethyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
E135-0891 Screening compound: 5-(2,5-dimethoxyphenyl)-N~3~-(2-methoxy-1-methylethyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-0891
5-(2,5-dimethoxyphenyl)-N~3~-(2-methoxy-1-methylethyl)-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

E135-0891

Molecular Formula

C17H23N3O6S (C17 H23 N3 O6 S)

Compound Name

5-(2,5-dimethoxyphenyl)-N~3~-(2-methoxy-1-methylethyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

IUPAC name

5-(25-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-2-methyl-11-dioxo-2H-1lambda626-thiadiazine-3-carboxamide

SMILES

CC(COC)NC(C(N1C)=CC(c(cc(cc2)OC)c2OC)=NS1(=O)=O)=O

InChI

InChI=1S/C17H23N3O6S/c1-11(10-24-3)18-17(21)15-9-14(19-27(22,23)20(15)2)13-8-12(25-4)6-7-16(13)26-5/h6-9,11H,10H2,1-5H3,(H,18,21)/t11-/m0/s1

InChI Key

VEOGKCCKCABWBQ-NSHDSACASA-N

MDL Number (MFCD)

MFCD09783696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.057

Distribution Coefficient, logD

1.056

Water Solubility, LogSw

-2.54

Polar Surface Area

92.952

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with E135-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0891?
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What is the minimum amount of E135-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0891
  • 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 E135-0891 available by request