2181-0451 Screening compound: 2-methoxy-4-[(Z)-{[(6-methylpyridin-3-yl)formamido]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate

2181-0451 Screening compound: 2-methoxy-4-[(Z)-{[(6-methylpyridin-3-yl)formamido]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate
2181-0451 Screening compound: 2-methoxy-4-[(Z)-{[(6-methylpyridin-3-yl)formamido]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2181-0451
2-methoxy-4-[(Z)-{[(6-methylpyridin-3-yl)formamido]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

2181-0451

Molecular Formula

C23H19N3O6 (C23 H19 N3 O6)

Compound Name

2-methoxy-4-[(Z)-{[(6-methylpyridin-3-yl)formamido]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate

IUPAC name

2-methoxy-4-[(Z)-{[(6-methylpyridin-3-yl)formamido]imino}methyl]phenyl 2H-13-benzodioxole-5-carboxylate

SMILES

Cc(cc1)ncc1C(N/N=C\c(cc1)cc(OC)c1OC(c(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C23H19N3O6/c1-14-3-5-17(12-24-14)22(27)26-25-11-15-4-7-19(20(9-15)29-2)32-23(28)16-6-8-18-21(10-16)31-13-30-18/h3-12H,13H2,1-2H3,(H,26,27)

InChI Key

KQTFYBIPVSPILB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.443

Distribution Coefficient, logD

3.431

Water Solubility, LogSw

-3.46

Polar Surface Area

89.708

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

2181-0451 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 2181-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2181-0451?
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What is the minimum amount of 2181-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2181-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2181-0451
  • 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 2181-0451 available by request