8006-1712 Screening compound: 2-methoxy-4-[(E)-{[2-(2-methoxy-4,6-dinitrophenoxy)acetamido]imino}methyl]phenyl 4-nitrobenzoate

8006-1712 Screening compound: 2-methoxy-4-[(E)-{[2-(2-methoxy-4,6-dinitrophenoxy)acetamido]imino}methyl]phenyl 4-nitrobenzoate
8006-1712 Screening compound: 2-methoxy-4-[(E)-{[2-(2-methoxy-4,6-dinitrophenoxy)acetamido]imino}methyl]phenyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-1712
2-methoxy-4-[(E)-{[2-(2-methoxy-4,6-dinitrophenoxy)acetamido]imino}methyl]phenyl 4-nitrobenzoate

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

8006-1712

Molecular Formula

C24H19N5O12 (C24 H19 N5 O12)

Compound Name

2-methoxy-4-[(E)-{[2-(2-methoxy-4,6-dinitrophenoxy)acetamido]imino}methyl]phenyl 4-nitrobenzoate

IUPAC name

2-methoxy-4-[(E)-{[2-(2-methoxy-46-dinitrophenoxy)acetamido]imino}methyl]phenyl 4-nitrobenzoate

SMILES

COc(cc(/C=N/NC(COc(c(OC)cc([N+]([O-])=O)c1)c1[N+]([O-])=O)=O)cc1)c1OC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C24H19N5O12/c1-38-20-9-14(3-8-19(20)41-24(31)15-4-6-16(7-5-15)27(32)33)12-25-26-22(30)13-40-23-18(29(36)37)10-17(28(34)35)11-21(23)39-2/h3-12H,13H2,1-2H3,(H,26,30)

InChI Key

IUFVRYAKGZFLOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.44

Hydrogen Bond Acceptors Count

21.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

17

Partition Coefficient, logP

3.533

Distribution Coefficient, logD

3.533

Water Solubility, LogSw

-3.97

Polar Surface Area

178.582

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8006-1712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-1712?
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What is the minimum amount of 8006-1712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-1712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-1712
  • 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 8006-1712 available by request