8005-6142 Screening compound: 4-[(E)-{[2-(2,4-dibromo-6-methoxyphenoxy)acetamido]imino}methyl]-2-methoxyphenyl 4-nitrobenzoate

8005-6142 Screening compound: 4-[(E)-{[2-(2,4-dibromo-6-methoxyphenoxy)acetamido]imino}methyl]-2-methoxyphenyl 4-nitrobenzoate
8005-6142 Screening compound: 4-[(E)-{[2-(2,4-dibromo-6-methoxyphenoxy)acetamido]imino}methyl]-2-methoxyphenyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-6142
4-[(E)-{[2-(2,4-dibromo-6-methoxyphenoxy)acetamido]imino}methyl]-2-methoxyphenyl 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

8005-6142

Molecular Formula

C24H19Br2N3O8 (C24 H19 Br2 N3 O8)

Compound Name

4-[(E)-{[2-(2,4-dibromo-6-methoxyphenoxy)acetamido]imino}methyl]-2-methoxyphenyl 4-nitrobenzoate

IUPAC name

4-[(E)-{[2-(24-dibromo-6-methoxyphenoxy)acetamido]imino}methyl]-2-methoxyphenyl 4-nitrobenzoate

SMILES

COc(cc(/C=N/NC(COc(c(OC)cc(Br)c1)c1Br)=O)cc1)c1OC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C24H19Br2N3O8/c1-34-20-9-14(3-8-19(20)37-24(31)15-4-6-17(7-5-15)29(32)33)12-27-28-22(30)13-36-23-18(26)10-16(25)11-21(23)35-2/h3-12H,13H2,1-2H3,(H,28,30)

InChI Key

LJMLWMWNOFMDLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00820870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

637.24

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.436

Distribution Coefficient, logD

5.435

Water Solubility, LogSw

-5.56

Polar Surface Area

112.120

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 8005-6142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-6142?
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What is the minimum amount of 8005-6142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-6142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-6142
  • 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 8005-6142 available by request