8004-5889 Screening compound: 2-methoxy-3-nitro-4-[(E)-{[2-(2-nitrophenoxy)acetamido]imino}methyl]phenyl acetate

8004-5889 Screening compound: 2-methoxy-3-nitro-4-[(E)-{[2-(2-nitrophenoxy)acetamido]imino}methyl]phenyl acetate
8004-5889 Screening compound: 2-methoxy-3-nitro-4-[(E)-{[2-(2-nitrophenoxy)acetamido]imino}methyl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-5889
2-methoxy-3-nitro-4-[(E)-{[2-(2-nitrophenoxy)acetamido]imino}methyl]phenyl 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

8004-5889

Molecular Formula

C18H16N4O9 (C18 H16 N4 O9)

Compound Name

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

IUPAC name

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

SMILES

CC(Oc1ccc(/C=N/NC(COc(cccc2)c2[N+]([O-])=O)=O)c([N+]([O-])=O)c1OC)=O

InChI

InChI=1S/C18H16N4O9/c1-11(23)31-15-8-7-12(17(22(27)28)18(15)29-2)9-19-20-16(24)10-30-14-6-4-3-5-13(14)21(25)26/h3-9H,10H2,1-2H3,(H,20,24)

InChI Key

IEBHAPUCTUXLOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.35

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

2.668

Distribution Coefficient, logD

2.666

Water Solubility, LogSw

-3.17

Polar Surface Area

137.342

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8004-5889 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 8004-5889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-5889?
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What is the minimum amount of 8004-5889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-5889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-5889
  • 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 8004-5889 available by request