2181-0424 Screening compound: 2-methoxy-4-[(Z)-{[(6-methylpyridin-3-yl)formamido]imino}methyl]phenyl 3-fluorobenzoate

2181-0424 Screening compound: 2-methoxy-4-[(Z)-{[(6-methylpyridin-3-yl)formamido]imino}methyl]phenyl 3-fluorobenzoate
2181-0424 Screening compound: 2-methoxy-4-[(Z)-{[(6-methylpyridin-3-yl)formamido]imino}methyl]phenyl 3-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2181-0424
2-methoxy-4-[(Z)-{[(6-methylpyridin-3-yl)formamido]imino}methyl]phenyl 3-fluorobenzoate

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

2181-0424

Molecular Formula

C22H18FN3O4 (C22 H18 FN3 O4)

Compound Name

2-methoxy-4-[(Z)-{[(6-methylpyridin-3-yl)formamido]imino}methyl]phenyl 3-fluorobenzoate

IUPAC name

2-methoxy-4-[(Z)-{[(6-methylpyridin-3-yl)formamido]imino}methyl]phenyl 3-fluorobenzoate

SMILES

Cc(cc1)ncc1C(N/N=C\c(cc1)cc(OC)c1OC(c1cccc(F)c1)=O)=O

InChI

InChI=1S/C22H18FN3O4/c1-14-6-8-17(13-24-14)21(27)26-25-12-15-7-9-19(20(10-15)29-2)30-22(28)16-4-3-5-18(23)11-16/h3-13H,1-2H3,(H,26,27)

InChI Key

QAZAJYMTDOZOAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.643

Distribution Coefficient, logD

3.632

Water Solubility, LogSw

-3.91

Polar Surface Area

72.593

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

2181-0424 in Drug Discovery

Included in Screening Libraries

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 2181-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2181-0424?
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What is the minimum amount of 2181-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2181-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2181-0424
  • 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 2181-0424 available by request