8004-1133 Screening compound: 2-[(E)-{[2-(2-bromo-4-methylphenoxy)acetamido]imino}methyl]phenyl 4-nitrobenzoate

8004-1133 Screening compound: 2-[(E)-{[2-(2-bromo-4-methylphenoxy)acetamido]imino}methyl]phenyl 4-nitrobenzoate
8004-1133 Screening compound: 2-[(E)-{[2-(2-bromo-4-methylphenoxy)acetamido]imino}methyl]phenyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-1133
2-[(E)-{[2-(2-bromo-4-methylphenoxy)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

8004-1133

Molecular Formula

C23H18BrN3O6 (C23 H18 BrN3 O6)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(Br)c1OCC(N/N=C/c(cccc1)c1OC(c(cc1)ccc1[N+]([O-])=O)=O)=O

InChI

InChI=1S/C23H18BrN3O6/c1-15-6-11-21(19(24)12-15)32-14-22(28)26-25-13-17-4-2-3-5-20(17)33-23(29)16-7-9-18(10-8-16)27(30)31/h2-13H,14H2,1H3,(H,26,28)

InChI Key

RHZOIVAWXSHRIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00323110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.32

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.105

Distribution Coefficient, logD

5.104

Water Solubility, LogSw

-4.99

Polar Surface Area

96.773

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 8004-1133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-1133?
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What is the minimum amount of 8004-1133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-1133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-1133
  • 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 8004-1133 available by request