8005-7686 Screening compound: 2-[(E)-{[2-(2-methylphenoxy)acetamido]imino}methyl]-4-nitrophenyl benzoate

8005-7686 Screening compound: 2-[(E)-{[2-(2-methylphenoxy)acetamido]imino}methyl]-4-nitrophenyl benzoate
8005-7686 Screening compound: 2-[(E)-{[2-(2-methylphenoxy)acetamido]imino}methyl]-4-nitrophenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7686
2-[(E)-{[2-(2-methylphenoxy)acetamido]imino}methyl]-4-nitrophenyl benzoate

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

8005-7686

Molecular Formula

C23H19N3O6 (C23 H19 N3 O6)

Compound Name

2-[(E)-{[2-(2-methylphenoxy)acetamido]imino}methyl]-4-nitrophenyl benzoate

IUPAC name

2-[(E)-{[2-(2-methylphenoxy)acetamido]imino}methyl]-4-nitrophenyl benzoate

SMILES

Cc(cccc1)c1OCC(N/N=C/c(cc(cc1)[N+]([O-])=O)c1OC(c1ccccc1)=O)=O

InChI

InChI=1S/C23H19N3O6/c1-16-7-5-6-10-20(16)31-15-22(27)25-24-14-18-13-19(26(29)30)11-12-21(18)32-23(28)17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,25,27)

InChI Key

JPVVLBPUHGIHJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00822205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.539

Distribution Coefficient, logD

4.538

Water Solubility, LogSw

-4.59

Polar Surface Area

96.773

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

8005-7686 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8005-7686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7686?
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What is the minimum amount of 8005-7686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7686
  • 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 8005-7686 available by request