E135-0768 Screening compound: N~3~,5-bis(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

E135-0768 Screening compound: N~3~,5-bis(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
E135-0768 Screening compound: N~3~,5-bis(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-0768
N~3~,5-bis(3,4-dimethoxyphenyl)-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

E135-0768

Molecular Formula

C21H23N3O7S (C21 H23 N3 O7 S)

Compound Name

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

IUPAC name

N5-bis(34-dimethoxyphenyl)-2-methyl-11-dioxo-2H-1lambda626-thiadiazine-3-carboxamide

SMILES

CN(C(C(Nc(cc1)cc(OC)c1OC)=O)=CC(c(cc1)cc(OC)c1OC)=N1)S1(=O)=O

InChI

InChI=1S/C21H23N3O7S/c1-24-16(21(25)22-14-7-9-18(29-3)20(11-14)31-5)12-15(23-32(24,26)27)13-6-8-17(28-2)19(10-13)30-4/h6-12H,1-5H3,(H,22,25)

InChI Key

UOACGNGHBNNDKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.959

Distribution Coefficient, logD

1.274

Water Solubility, LogSw

-2.89

Polar Surface Area

98.840

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with E135-0768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0768?
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What is the minimum amount of E135-0768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0768
  • 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 E135-0768 available by request