8006-1995 Screening compound: 4-[(E)-{[2-(3,4-dimethylphenoxy)acetamido]imino}methyl]-2-methoxyphenyl 4-bromobenzoate

8006-1995 Screening compound: 4-[(E)-{[2-(3,4-dimethylphenoxy)acetamido]imino}methyl]-2-methoxyphenyl 4-bromobenzoate
8006-1995 Screening compound: 4-[(E)-{[2-(3,4-dimethylphenoxy)acetamido]imino}methyl]-2-methoxyphenyl 4-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-1995
4-[(E)-{[2-(3,4-dimethylphenoxy)acetamido]imino}methyl]-2-methoxyphenyl 4-bromobenzoate

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

8006-1995

Molecular Formula

C25H23BrN2O5 (C25 H23 BrN2 O5)

Compound Name

4-[(E)-{[2-(3,4-dimethylphenoxy)acetamido]imino}methyl]-2-methoxyphenyl 4-bromobenzoate

IUPAC name

4-[(E)-{[2-(34-dimethylphenoxy)acetamido]imino}methyl]-2-methoxyphenyl 4-bromobenzoate

SMILES

Cc(cc1)c(C)cc1OCC(N/N=C/c(cc1)cc(OC)c1OC(c(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C25H23BrN2O5/c1-16-4-10-21(12-17(16)2)32-15-24(29)28-27-14-18-5-11-22(23(13-18)31-3)33-25(30)19-6-8-20(26)9-7-19/h4-14H,15H2,1-3H3,(H,28,29)

InChI Key

RBHZDSAMMRQLMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.898

Distribution Coefficient, logD

5.897

Water Solubility, LogSw

-5.56

Polar Surface Area

70.935

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 8006-1995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-1995?
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What is the minimum amount of 8006-1995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-1995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-1995
  • 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 8006-1995 available by request