8002-4177 Screening compound: 4-[(E)-{[2-(2-bromo-4-methoxyphenoxy)acetamido]imino}methyl]-2-methoxyphenyl 3,4,5-trimethoxybenzoate

8002-4177 Screening compound: 4-[(E)-{[2-(2-bromo-4-methoxyphenoxy)acetamido]imino}methyl]-2-methoxyphenyl 3,4,5-trimethoxybenzoate
8002-4177 Screening compound: 4-[(E)-{[2-(2-bromo-4-methoxyphenoxy)acetamido]imino}methyl]-2-methoxyphenyl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-4177
4-[(E)-{[2-(2-bromo-4-methoxyphenoxy)acetamido]imino}methyl]-2-methoxyphenyl 3,4,5-trimethoxybenzoate

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

8002-4177

Molecular Formula

C27H27BrN2O9 (C27 H27 BrN2 O9)

Compound Name

4-[(E)-{[2-(2-bromo-4-methoxyphenoxy)acetamido]imino}methyl]-2-methoxyphenyl 3,4,5-trimethoxybenzoate

IUPAC name

4-[(E)-{[2-(2-bromo-4-methoxyphenoxy)acetamido]imino}methyl]-2-methoxyphenyl 345-trimethoxybenzoate

SMILES

COc(cc1)cc(Br)c1OCC(N/N=C/c(cc1)cc(OC)c1OC(c(cc1OC)cc(OC)c1OC)=O)=O

InChI

InChI=1S/C27H27BrN2O9/c1-33-18-7-9-20(19(28)13-18)38-15-25(31)30-29-14-16-6-8-21(22(10-16)34-2)39-27(32)17-11-23(35-3)26(37-5)24(12-17)36-4/h6-14H,15H2,1-5H3,(H,30,31)

InChI Key

JXPWGCLKNWHLPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00732541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

603.42

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.140

Distribution Coefficient, logD

4.140

Water Solubility, LogSw

-4.48

Polar Surface Area

101.543

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 8002-4177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-4177?
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What is the minimum amount of 8002-4177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-4177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-4177
  • 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 8002-4177 available by request