8003-6847 Screening compound: 2-bromo-6-[(E)-{[2-(3-methylphenoxy)acetamido]imino}methyl]-4-nitrophenyl furan-2-carboxylate

8003-6847 Screening compound: 2-bromo-6-[(E)-{[2-(3-methylphenoxy)acetamido]imino}methyl]-4-nitrophenyl furan-2-carboxylate
8003-6847 Screening compound: 2-bromo-6-[(E)-{[2-(3-methylphenoxy)acetamido]imino}methyl]-4-nitrophenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-6847
2-bromo-6-[(E)-{[2-(3-methylphenoxy)acetamido]imino}methyl]-4-nitrophenyl 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

8003-6847

Molecular Formula

C21H16BrN3O7 (C21 H16 BrN3 O7)

Compound Name

2-bromo-6-[(E)-{[2-(3-methylphenoxy)acetamido]imino}methyl]-4-nitrophenyl furan-2-carboxylate

IUPAC name

2-bromo-6-[(E)-{[2-(3-methylphenoxy)acetamido]imino}methyl]-4-nitrophenyl furan-2-carboxylate

SMILES

Cc1cccc(OCC(N/N=C/c2cc([N+]([O-])=O)cc(Br)c2OC(c2ccco2)=O)=O)c1

InChI

InChI=1S/C21H16BrN3O7/c1-13-4-2-5-16(8-13)31-12-19(26)24-23-11-14-9-15(25(28)29)10-17(22)20(14)32-21(27)18-6-3-7-30-18/h2-11H,12H2,1H3,(H,24,26)

InChI Key

MKQAAZIILRPBJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00735958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.28

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.846

Distribution Coefficient, logD

4.840

Water Solubility, LogSw

-4.79

Polar Surface Area

105.351

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 8003-6847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-6847?
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What is the minimum amount of 8003-6847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-6847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-6847
  • 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 8003-6847 available by request