8006-1663 Screening compound: 2-bromo-4-[(E)-{[2-(2-methoxy-4,6-dinitrophenoxy)acetamido]imino}methyl]phenyl 4-nitrobenzoate

8006-1663 Screening compound: 2-bromo-4-[(E)-{[2-(2-methoxy-4,6-dinitrophenoxy)acetamido]imino}methyl]phenyl 4-nitrobenzoate
8006-1663 Screening compound: 2-bromo-4-[(E)-{[2-(2-methoxy-4,6-dinitrophenoxy)acetamido]imino}methyl]phenyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-1663
2-bromo-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

8006-1663

Molecular Formula

C23H16BrN5O11 (C23 H16 BrN5 O11)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(cc1[N+]([O-])=O)[N+]([O-])=O)c1OCC(N/N=C/c(cc1)cc(Br)c1OC(c(cc1)ccc1[N+]([O-])=O)=O)=O

InChI

InChI=1S/C23H16BrN5O11/c1-38-20-10-16(28(34)35)9-18(29(36)37)22(20)39-12-21(30)26-25-11-13-2-7-19(17(24)8-13)40-23(31)14-3-5-15(6-4-14)27(32)33/h2-11H,12H2,1H3,(H,26,30)

InChI Key

KSVSKLDHVFHGIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

618.31

Hydrogen Bond Acceptors Count

20.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

16

Partition Coefficient, logP

4.027

Distribution Coefficient, logD

4.024

Water Solubility, LogSw

-4.46

Polar Surface Area

170.952

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 8006-1663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-1663?
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What is the minimum amount of 8006-1663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-1663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-1663
  • 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 8006-1663 available by request