2181-0699 Screening compound: 3-[(Z)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl 3-fluorobenzoate

2181-0699 Screening compound: 3-[(Z)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl 3-fluorobenzoate
2181-0699 Screening compound: 3-[(Z)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl 3-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2181-0699
3-[(Z)-({2-[(2-methylphenyl)amino]acetamido}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

2181-0699

Molecular Formula

C23H20FN3O3 (C23 H20 FN3 O3)

Compound Name

3-[(Z)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl 3-fluorobenzoate

IUPAC name

3-[(Z)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl 3-fluorobenzoate

SMILES

Cc(cccc1)c1NCC(N/N=C\c1cccc(OC(c2cccc(F)c2)=O)c1)=O

InChI

InChI=1S/C23H20FN3O3/c1-16-6-2-3-11-21(16)25-15-22(28)27-26-14-17-7-4-10-20(12-17)30-23(29)18-8-5-9-19(24)13-18/h2-14,25H,15H2,1H3,(H,27,28)

InChI Key

LZPKGPOTYVLRRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.287

Distribution Coefficient, logD

4.287

Water Solubility, LogSw

-4.37

Polar Surface Area

65.527

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 2181-0699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2181-0699?
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What is the minimum amount of 2181-0699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2181-0699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2181-0699
  • 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 2181-0699 available by request