3272-0362 Screening compound: 4-[(E)-[(2-{[(2-bromophenyl)methyl]sulfanyl}acetamido)imino]methyl]-2-methoxyphenyl methyl carbonate

3272-0362 Screening compound: 4-[(E)-[(2-{[(2-bromophenyl)methyl]sulfanyl}acetamido)imino]methyl]-2-methoxyphenyl methyl carbonate
3272-0362 Screening compound: 4-[(E)-[(2-{[(2-bromophenyl)methyl]sulfanyl}acetamido)imino]methyl]-2-methoxyphenyl methyl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3272-0362
4-[(E)-[(2-{[(2-bromophenyl)methyl]sulfanyl}acetamido)imino]methyl]-2-methoxyphenyl methyl carbonate

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

3272-0362

Molecular Formula

C19H19BrN2O5S (C19 H19 BrN2 O5 S)

Compound Name

4-[(E)-[(2-{[(2-bromophenyl)methyl]sulfanyl}acetamido)imino]methyl]-2-methoxyphenyl methyl carbonate

IUPAC name

4-[(E)-[(2-{[(2-bromophenyl)methyl]sulfanyl}acetamido)imino]methyl]-2-methoxyphenyl methyl carbonate

SMILES

COC(Oc(ccc(/C=N/NC(CSCc(cccc1)c1Br)=O)c1)c1OC)=O

InChI

InChI=1S/C19H19BrN2O5S/c1-25-17-9-13(7-8-16(17)27-19(24)26-2)10-21-22-18(23)12-28-11-14-5-3-4-6-15(14)20/h3-10H,11-12H2,1-2H3,(H,22,23)

InChI Key

PPGGAPXEUXGXFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.731

Distribution Coefficient, logD

3.730

Water Solubility, LogSw

-4.06

Polar Surface Area

72.243

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

3272-0362 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3272-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3272-0362?
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What is the minimum amount of 3272-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3272-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3272-0362
  • 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 3272-0362 available by request