3272-0880 Screening compound: 2-(methylsulfanyl)ethyl 2-{4-[(E)-[({4-[(benzylsulfanyl)methyl]phenyl}formamido)imino]methyl]phenoxy}acetate

3272-0880 Screening compound: 2-(methylsulfanyl)ethyl 2-{4-[(E)-[({4-[(benzylsulfanyl)methyl]phenyl}formamido)imino]methyl]phenoxy}acetate
3272-0880 Screening compound: 2-(methylsulfanyl)ethyl 2-{4-[(E)-[({4-[(benzylsulfanyl)methyl]phenyl}formamido)imino]methyl]phenoxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3272-0880
2-(methylsulfanyl)ethyl 2-{4-[(E)-[({4-[(benzylsulfanyl)methyl]phenyl}formamido)imino]methyl]phenoxy}acetate

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

3272-0880

Molecular Formula

C27H28N2O4S2 (C27 H28 N2 O4 S2)

Compound Name

2-(methylsulfanyl)ethyl 2-{4-[(E)-[({4-[(benzylsulfanyl)methyl]phenyl}formamido)imino]methyl]phenoxy}acetate

IUPAC name

2-(methylsulfanyl)ethyl 2-{4-[(E)-[({4-[(benzylsulfanyl)methyl]phenyl}formamido)imino]methyl]phenoxy}acetate

SMILES

CSCCOC(COc1ccc(/C=N/NC(c2ccc(CSCc3ccccc3)cc2)=O)cc1)=O

InChI

InChI=1S/C27H28N2O4S2/c1-34-16-15-32-26(30)18-33-25-13-9-21(10-14-25)17-28-29-27(31)24-11-7-23(8-12-24)20-35-19-22-5-3-2-4-6-22/h2-14,17H,15-16,18-20H2,1H3,(H,29,31)

InChI Key

OHQASALXFSZQQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01120608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.456

Distribution Coefficient, logD

4.446

Water Solubility, LogSw

-4.31

Polar Surface Area

63.235

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 3272-0880 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3272-0880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3272-0880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3272-0880
  • 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 3272-0880 available by request