8003-1418 Screening compound: 4-[(E)-{[2-(2-bromo-4-chlorophenoxy)acetamido]imino}methyl]-2-methoxyphenyl acetate

8003-1418 Screening compound: 4-[(E)-{[2-(2-bromo-4-chlorophenoxy)acetamido]imino}methyl]-2-methoxyphenyl acetate
8003-1418 Screening compound: 4-[(E)-{[2-(2-bromo-4-chlorophenoxy)acetamido]imino}methyl]-2-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-1418
4-[(E)-{[2-(2-bromo-4-chlorophenoxy)acetamido]imino}methyl]-2-methoxyphenyl acetate

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

8003-1418

Molecular Formula

C18H16BrClN2O5 (C18 H16 BrClN2 O5)

Compound Name

4-[(E)-{[2-(2-bromo-4-chlorophenoxy)acetamido]imino}methyl]-2-methoxyphenyl acetate

IUPAC name

4-[(E)-{[2-(2-bromo-4-chlorophenoxy)acetamido]imino}methyl]-2-methoxyphenyl acetate

SMILES

CC(Oc(ccc(/C=N/NC(COc(ccc(Cl)c1)c1Br)=O)c1)c1OC)=O

InChI

InChI=1S/C18H16BrClN2O5/c1-11(23)27-16-5-3-12(7-17(16)25-2)9-21-22-18(24)10-26-15-6-4-13(20)8-14(15)19/h3-9H,10H2,1-2H3,(H,22,24)

InChI Key

LZPQIIJVWXWCAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00734170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.712

Distribution Coefficient, logD

3.711

Water Solubility, LogSw

-4.56

Polar Surface Area

71.395

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 8003-1418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-1418?
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What is the minimum amount of 8003-1418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-1418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-1418
  • 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 8003-1418 available by request