8003-2744 Screening compound: 4-[(E)-{[2-(2-bromo-4-nitrophenoxy)acetamido]imino}methyl]-2-methoxy-3-nitrophenyl acetate

8003-2744 Screening compound: 4-[(E)-{[2-(2-bromo-4-nitrophenoxy)acetamido]imino}methyl]-2-methoxy-3-nitrophenyl acetate
8003-2744 Screening compound: 4-[(E)-{[2-(2-bromo-4-nitrophenoxy)acetamido]imino}methyl]-2-methoxy-3-nitrophenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-2744
4-[(E)-{[2-(2-bromo-4-nitrophenoxy)acetamido]imino}methyl]-2-methoxy-3-nitrophenyl 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

8003-2744

Molecular Formula

C18H15BrN4O9 (C18 H15 BrN4 O9)

Compound Name

4-[(E)-{[2-(2-bromo-4-nitrophenoxy)acetamido]imino}methyl]-2-methoxy-3-nitrophenyl acetate

IUPAC name

4-[(E)-{[2-(2-bromo-4-nitrophenoxy)acetamido]imino}methyl]-2-methoxy-3-nitrophenyl acetate

SMILES

CC(Oc(ccc(/C=N/NC(COc(ccc([N+]([O-])=O)c1)c1Br)=O)c1[N+]([O-])=O)c1OC)=O

InChI

InChI=1S/C18H15BrN4O9/c1-10(24)32-15-5-3-11(17(23(28)29)18(15)30-2)8-20-21-16(25)9-31-14-6-4-12(22(26)27)7-13(14)19/h3-8H,9H2,1-2H3,(H,21,25)

InChI Key

MJQZITPADPUTRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00734751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.24

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

3.746

Distribution Coefficient, logD

3.743

Water Solubility, LogSw

-4.32

Polar Surface Area

137.643

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 8003-2744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-2744?
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What is the minimum amount of 8003-2744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-2744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-2744
  • 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 8003-2744 available by request