S342-0861 Screening compound: methyl 2-[2-(2-chloroanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

S342-0861 Screening compound: methyl 2-[2-(2-chloroanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
S342-0861 Screening compound: methyl 2-[2-(2-chloroanilino)-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 S342-0861
methyl 2-[2-(2-chloroanilino)-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

S342-0861

Molecular Formula

C14H14ClN3O5S (C14 H14 ClN3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(C(OC)=O)=CN1CC(Nc(cccc2)c2Cl)=O)=NS1(=O)=O

InChI

InChI=1S/C14H14ClN3O5S/c1-9-10(14(20)23-2)7-18(24(21,22)17-9)8-13(19)16-12-6-4-3-5-11(12)15/h3-7H,8H2,1-2H3,(H,16,19)

InChI Key

LKVVZKGGWBAXBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29006910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.8

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.727

Distribution Coefficient, logD

0.727

Water Solubility, LogSw

-2.51

Polar Surface Area

86.124

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

-3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with S342-0861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S342-0861?
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What is the minimum amount of S342-0861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S342-0861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S342-0861
  • 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 S342-0861 available by request