S342-0940 Screening compound: methyl 2-{2-[(4-methoxybenzyl)amino]-2-oxoethyl}-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

S342-0940 Screening compound: methyl 2-{2-[(4-methoxybenzyl)amino]-2-oxoethyl}-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
S342-0940 Screening compound: methyl 2-{2-[(4-methoxybenzyl)amino]-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 S342-0940
methyl 2-{2-[(4-methoxybenzyl)amino]-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

S342-0940

Molecular Formula

C16H19N3O6S (C16 H19 N3 O6 S)

Compound Name

methyl 2-{2-[(4-methoxybenzyl)amino]-2-oxoethyl}-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

IUPAC name

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

SMILES

CC(C(C(OC)=O)=CN1CC(NCc(cc2)ccc2OC)=O)=NS1(=O)=O

InChI

InChI=1S/C16H19N3O6S/c1-11-14(16(21)25-3)9-19(26(22,23)18-11)10-15(20)17-8-12-4-6-13(24-2)7-5-12/h4-7,9H,8,10H2,1-3H3,(H,17,20)

InChI Key

ZMGDCDKSOUEBPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29006930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.236

Distribution Coefficient, logD

0.236

Water Solubility, LogSw

-2.33

Polar Surface Area

95.688

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with S342-0940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S342-0940?
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What is the minimum amount of S342-0940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S342-0940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S342-0940
  • 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 S342-0940 available by request