S342-1028 Screening compound: methyl 2-{2-[(2-fluorobenzyl)amino]-2-oxoethyl}-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

S342-1028 Screening compound: methyl 2-{2-[(2-fluorobenzyl)amino]-2-oxoethyl}-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
S342-1028 Screening compound: methyl 2-{2-[(2-fluorobenzyl)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 S342-1028
methyl 2-{2-[(2-fluorobenzyl)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

S342-1028

Molecular Formula

C15H16FN3O5S (C15 H16 FN3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(C(OC)=O)=CN1CC(NCc(cccc2)c2F)=O)=NS1(=O)=O

InChI

InChI=1S/C15H16FN3O5S/c1-10-12(15(21)24-2)8-19(25(22,23)18-10)9-14(20)17-7-11-5-3-4-6-13(11)16/h3-6,8H,7,9H2,1-2H3,(H,17,20)

InChI Key

YQWRANGSOYKNLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29006939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.37

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

0.628

Distribution Coefficient, logD

0.628

Water Solubility, LogSw

-2.28

Polar Surface Area

88.144

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with S342-1028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S342-1028?
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What is the minimum amount of S342-1028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S342-1028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S342-1028
  • 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 S342-1028 available by request