S342-0544 Screening compound: 2,5-difluorobenzyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

S342-0544 Screening compound: 2,5-difluorobenzyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
S342-0544 Screening compound: 2,5-difluorobenzyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound S342-0544
2,5-difluorobenzyl 2-benzyl-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

S342-0544

Molecular Formula

C19H16F2N2O4S (C19 H16 F2 N2 O4 S)

Compound Name

2,5-difluorobenzyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

IUPAC name

(25-difluorophenyl)methyl 2-benzyl-5-methyl-11-dioxo-2H-1lambda626-thiadiazine-4-carboxylate

SMILES

CC(C(C(OCc(cc(cc1)F)c1F)=O)=CN1Cc2ccccc2)=NS1(=O)=O

InChI

InChI=1S/C19H16F2N2O4S/c1-13-17(19(24)27-12-15-9-16(20)7-8-18(15)21)11-23(28(25,26)22-13)10-14-5-3-2-4-6-14/h2-9,11H,10,12H2,1H3

InChI Key

SYMCZWFPVUTUDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29001840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.832

Distribution Coefficient, logD

2.832

Water Solubility, LogSw

-3.22

Polar Surface Area

63.356

Acid Dissociation Constant (pKa)

26.42

Base Dissociation Constant (pKb)

-7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

S342-0544 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S342-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S342-0544?
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What is the minimum amount of S342-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S342-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S342-0544
  • 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 S342-0544 available by request