2181-0721 Screening compound: 2-methoxy-4-[(Z)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]-3-nitrophenyl acetate

2181-0721 Screening compound: 2-methoxy-4-[(Z)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]-3-nitrophenyl acetate
2181-0721 Screening compound: 2-methoxy-4-[(Z)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]-3-nitrophenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2181-0721
2-methoxy-4-[(Z)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]-3-nitrophenyl 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

2181-0721

Molecular Formula

C19H20N4O6 (C19 H20 N4 O6)

Compound Name

2-methoxy-4-[(Z)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]-3-nitrophenyl acetate

IUPAC name

2-methoxy-4-[(Z)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]-3-nitrophenyl acetate

SMILES

CC(Oc1ccc(/C=N\NC(CNc2c(C)cccc2)=O)c([N+]([O-])=O)c1OC)=O

InChI

InChI=1S/C19H20N4O6/c1-12-6-4-5-7-15(12)20-11-17(25)22-21-10-14-8-9-16(29-13(2)24)19(28-3)18(14)23(26)27/h4-10,20H,11H2,1-3H3,(H,22,25)

InChI Key

GZHDKRMPSHXXNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.292

Distribution Coefficient, logD

3.290

Water Solubility, LogSw

-3.73

Polar Surface Area

106.484

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 2181-0721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2181-0721?
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What is the minimum amount of 2181-0721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2181-0721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2181-0721
  • 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 2181-0721 available by request