3272-1082 Screening compound: 2-methoxy-4-[(E)-[(2-{[(4-nitrophenyl)methyl]sulfanyl}acetamido)imino]methyl]phenyl methyl carbonate

3272-1082 Screening compound: 2-methoxy-4-[(E)-[(2-{[(4-nitrophenyl)methyl]sulfanyl}acetamido)imino]methyl]phenyl methyl carbonate
3272-1082 Screening compound: 2-methoxy-4-[(E)-[(2-{[(4-nitrophenyl)methyl]sulfanyl}acetamido)imino]methyl]phenyl methyl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3272-1082
2-methoxy-4-[(E)-[(2-{[(4-nitrophenyl)methyl]sulfanyl}acetamido)imino]methyl]phenyl 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

3272-1082

Molecular Formula

C19H19N3O7S (C19 H19 N3 O7 S)

Compound Name

2-methoxy-4-[(E)-[(2-{[(4-nitrophenyl)methyl]sulfanyl}acetamido)imino]methyl]phenyl methyl carbonate

IUPAC name

2-methoxy-4-[(E)-[(2-{[(4-nitrophenyl)methyl]sulfanyl}acetamido)imino]methyl]phenyl methyl carbonate

SMILES

COC(Oc(ccc(/C=N/NC(CSCc(cc1)ccc1[N+]([O-])=O)=O)c1)c1OC)=O

InChI

InChI=1S/C19H19N3O7S/c1-27-17-9-14(5-8-16(17)29-19(24)28-2)10-20-21-18(23)12-30-11-13-3-6-15(7-4-13)22(25)26/h3-10H,11-12H2,1-2H3,(H,21,23)

InChI Key

CCSHNYUJTFIWJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01874167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.44

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.714

Distribution Coefficient, logD

2.713

Water Solubility, LogSw

-3.29

Polar Surface Area

105.625

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 3272-1082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3272-1082?
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What is the minimum amount of 3272-1082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3272-1082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3272-1082
  • 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 3272-1082 available by request