E135-0116 Screening compound: 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N~3~-[4-(trifluoromethoxy)phenyl]-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

E135-0116 Screening compound: 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N~3~-[4-(trifluoromethoxy)phenyl]-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
E135-0116 Screening compound: 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N~3~-[4-(trifluoromethoxy)phenyl]-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-0116
2-methyl-5-(4-methylphenyl)-1,1-dioxo-N~3~-[4-(trifluoromethoxy)phenyl]-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

E135-0116

Molecular Formula

C19H16F3N3O4S (C19 H16 F3 N3 O4 S)

Compound Name

2-methyl-5-(4-methylphenyl)-1,1-dioxo-N~3~-[4-(trifluoromethoxy)phenyl]-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

IUPAC name

2-methyl-5-(4-methylphenyl)-11-dioxo-N-[4-(trifluoromethoxy)phenyl]-2H-1lambda626-thiadiazine-3-carboxamide

SMILES

Cc(cc1)ccc1C(C=C(C(Nc(cc1)ccc1OC(F)(F)F)=O)N1C)=NS1(=O)=O

InChI

InChI=1S/C19H16F3N3O4S/c1-12-3-5-13(6-4-12)16-11-17(25(2)30(27,28)24-16)18(26)23-14-7-9-15(10-8-14)29-19(20,21)22/h3-11H,1-2H3,(H,23,26)

InChI Key

STKGFEDGRAGKCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.458

Distribution Coefficient, logD

4.311

Water Solubility, LogSw

-4.33

Polar Surface Area

74.255

Acid Dissociation Constant (pKa)

7.79

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with E135-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0116?
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What is the minimum amount of E135-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0116
  • 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 E135-0116 available by request