8005-0481 Screening compound: 2,4-dibromo-6-[(Z)-{[2-(3-chlorophenoxy)acetamido]imino}methyl]phenyl 3,4,5-trimethoxybenzoate

8005-0481 Screening compound: 2,4-dibromo-6-[(Z)-{[2-(3-chlorophenoxy)acetamido]imino}methyl]phenyl 3,4,5-trimethoxybenzoate
8005-0481 Screening compound: 2,4-dibromo-6-[(Z)-{[2-(3-chlorophenoxy)acetamido]imino}methyl]phenyl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-0481
2,4-dibromo-6-[(Z)-{[2-(3-chlorophenoxy)acetamido]imino}methyl]phenyl 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

8005-0481

Molecular Formula

C25H21Br2ClN2O7 (C25 H21 Br2 ClN2 O7)

Compound Name

2,4-dibromo-6-[(Z)-{[2-(3-chlorophenoxy)acetamido]imino}methyl]phenyl 3,4,5-trimethoxybenzoate

IUPAC name

24-dibromo-6-[(Z)-{[2-(3-chlorophenoxy)acetamido]imino}methyl]phenyl 345-trimethoxybenzoate

SMILES

COc1cc(C(Oc(c(/C=N\NC(COc2cc(Cl)ccc2)=O)cc(Br)c2)c2Br)=O)cc(OC)c1OC

InChI

InChI=1S/C25H21Br2ClN2O7/c1-33-20-8-14(9-21(34-2)24(20)35-3)25(32)37-23-15(7-16(26)10-19(23)27)12-29-30-22(31)13-36-18-6-4-5-17(28)11-18/h4-12H,13H2,1-3H3,(H,30,31)

InChI Key

ZMAKSZSYJYJQHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00747182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

656.71

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.163

Distribution Coefficient, logD

6.125

Water Solubility, LogSw

-6.24

Polar Surface Area

86.369

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 8005-0481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-0481?
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What is the minimum amount of 8005-0481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-0481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-0481
  • 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 8005-0481 available by request