S342-1098 Screening compound: ethyl 2-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

S342-1098 Screening compound: ethyl 2-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
S342-1098 Screening compound: ethyl 2-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound S342-1098
ethyl 2-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

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

S342-1098

Molecular Formula

C16H18ClN3O5S (C16 H18 ClN3 O5 S)

Compound Name

ethyl 2-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

IUPAC name

ethyl 2-{[(2-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-11-dioxo-2H-1lambda626-thiadiazine-4-carboxylate

SMILES

CCOC(C(C(C)=N1)=CN(CC(Nc(ccc(C)c2)c2Cl)=O)S1(=O)=O)=O

InChI

InChI=1S/C16H18ClN3O5S/c1-4-25-16(22)12-8-20(26(23,24)19-11(12)3)9-15(21)18-14-6-5-10(2)7-13(14)17/h5-8H,4,9H2,1-3H3,(H,18,21)

InChI Key

JARDNDOFXDJISB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29006988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.85

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.788

Distribution Coefficient, logD

1.788

Water Solubility, LogSw

-2.87

Polar Surface Area

85.704

Acid Dissociation Constant (pKa)

11.01

Base Dissociation Constant (pKb)

-3.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with S342-1098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S342-1098?
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What is the minimum amount of S342-1098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S342-1098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S342-1098
  • 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 S342-1098 available by request