8003-1622 Screening compound: 4-[(E)-{[2-(2-bromo-4-nitrophenoxy)acetamido]imino}methyl]-2-ethoxyphenyl furan-2-carboxylate

8003-1622 Screening compound: 4-[(E)-{[2-(2-bromo-4-nitrophenoxy)acetamido]imino}methyl]-2-ethoxyphenyl furan-2-carboxylate
8003-1622 Screening compound: 4-[(E)-{[2-(2-bromo-4-nitrophenoxy)acetamido]imino}methyl]-2-ethoxyphenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-1622
4-[(E)-{[2-(2-bromo-4-nitrophenoxy)acetamido]imino}methyl]-2-ethoxyphenyl furan-2-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

8003-1622

Molecular Formula

C22H18BrN3O8 (C22 H18 BrN3 O8)

Compound Name

4-[(E)-{[2-(2-bromo-4-nitrophenoxy)acetamido]imino}methyl]-2-ethoxyphenyl furan-2-carboxylate

IUPAC name

4-[(E)-{[2-(2-bromo-4-nitrophenoxy)acetamido]imino}methyl]-2-ethoxyphenyl furan-2-carboxylate

SMILES

CCOc(cc(/C=N/NC(COc(ccc([N+]([O-])=O)c1)c1Br)=O)cc1)c1OC(c1ccco1)=O

InChI

InChI=1S/C22H18BrN3O8/c1-2-31-20-10-14(5-7-18(20)34-22(28)19-4-3-9-32-19)12-24-25-21(27)13-33-17-8-6-15(26(29)30)11-16(17)23/h3-12H,2,13H2,1H3,(H,25,27)

InChI Key

JNNJBAXSVLFIIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00734322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.3

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.080

Distribution Coefficient, logD

4.080

Water Solubility, LogSw

-4.38

Polar Surface Area

112.561

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 8003-1622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-1622?
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What is the minimum amount of 8003-1622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-1622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-1622
  • 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 8003-1622 available by request