2181-0733 Screening compound: 2-[(E)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate

2181-0733 Screening compound: 2-[(E)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate
2181-0733 Screening compound: 2-[(E)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2181-0733
2-[(E)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate

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

2181-0733

Molecular Formula

C24H21N3O5 (C24 H21 N3 O5)

Compound Name

2-[(E)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate

IUPAC name

2-[(E)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl 2H-13-benzodioxole-5-carboxylate

SMILES

Cc(cccc1)c1NCC(N/N=C/c(cccc1)c1OC(c(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C24H21N3O5/c1-16-6-2-4-8-19(16)25-14-23(28)27-26-13-18-7-3-5-9-20(18)32-24(29)17-10-11-21-22(12-17)31-15-30-21/h2-13,25H,14-15H2,1H3,(H,27,28)

InChI Key

NCNDRZYVRLZIFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01148095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.292

Distribution Coefficient, logD

4.292

Water Solubility, LogSw

-4.38

Polar Surface Area

82.729

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 2181-0733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2181-0733?
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What is the minimum amount of 2181-0733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2181-0733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2181-0733
  • 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 2181-0733 available by request