E135-0482 Screening compound: 5-(4-fluorophenyl)-N~3~-(2-hydroxy-5-methylphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

E135-0482 Screening compound: 5-(4-fluorophenyl)-N~3~-(2-hydroxy-5-methylphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
E135-0482 Screening compound: 5-(4-fluorophenyl)-N~3~-(2-hydroxy-5-methylphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-0482
5-(4-fluorophenyl)-N~3~-(2-hydroxy-5-methylphenyl)-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

E135-0482

Molecular Formula

C18H16FN3O4S (C18 H16 FN3 O4 S)

Compound Name

5-(4-fluorophenyl)-N~3~-(2-hydroxy-5-methylphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

IUPAC name

5-(4-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-2-methyl-11-dioxo-2H-1lambda626-thiadiazine-3-carboxamide

SMILES

Cc(cc1)cc(NC(C(N2C)=CC(c(cc3)ccc3F)=NS2(=O)=O)=O)c1O

InChI

InChI=1S/C18H16FN3O4S/c1-11-3-8-17(23)15(9-11)20-18(24)16-10-14(21-27(25,26)22(16)2)12-4-6-13(19)7-5-12/h3-10,23H,1-2H3,(H,20,24)

InChI Key

OMMJETPBOKITON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.711

Distribution Coefficient, logD

2.406

Water Solubility, LogSw

-3.20

Polar Surface Area

84.169

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with E135-0482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0482?
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What is the minimum amount of E135-0482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0482
  • 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 E135-0482 available by request