8005-2487 Screening compound: 2-(methylsulfanyl)ethyl 2-{4-[((E)-2-{2-[(3-bromobenzyl)sulfanyl]acetyl}hydrazono)methyl]phenoxy}acetate

8005-2487 Screening compound: 2-(methylsulfanyl)ethyl 2-{4-[((E)-2-{2-[(3-bromobenzyl)sulfanyl]acetyl}hydrazono)methyl]phenoxy}acetate
8005-2487 Screening compound: 2-(methylsulfanyl)ethyl 2-{4-[((E)-2-{2-[(3-bromobenzyl)sulfanyl]acetyl}hydrazono)methyl]phenoxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-2487
2-(methylsulfanyl)ethyl 2-{4-[((E)-2-{2-[(3-bromobenzyl)sulfanyl]acetyl}hydrazono)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

8005-2487

Molecular Formula

C21H23BrN2O4S2 (C21 H23 BrN2 O4 S2)

Compound Name

2-(methylsulfanyl)ethyl 2-{4-[((E)-2-{2-[(3-bromobenzyl)sulfanyl]acetyl}hydrazono)methyl]phenoxy}acetate

IUPAC name

2-(methylsulfanyl)ethyl 2-{4-[(E)-[(2-{[(3-bromophenyl)methyl]sulfanyl}acetamido)imino]methyl]phenoxy}acetate

SMILES

CSCCOC(COc1ccc(/C=N/NC(CSCc2cccc(Br)c2)=O)cc1)=O

InChI

InChI=1S/C21H23BrN2O4S2/c1-29-10-9-27-21(26)13-28-19-7-5-16(6-8-19)12-23-24-20(25)15-30-14-17-3-2-4-18(22)11-17/h2-8,11-12H,9-10,13-15H2,1H3,(H,24,25)

InChI Key

GQFXIQIXHOBTNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00712444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.100

Distribution Coefficient, logD

4.098

Water Solubility, LogSw

-4.26

Polar Surface Area

63.293

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with 8005-2487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-2487?
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What is the minimum amount of 8005-2487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-2487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-2487
  • 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 8005-2487 available by request