8004-1298 Screening compound: 4-bromo-2-[(E)-{[2-(2,4-dichlorophenoxy)acetamido]imino}methyl]phenyl 4-bromobenzoate

8004-1298 Screening compound: 4-bromo-2-[(E)-{[2-(2,4-dichlorophenoxy)acetamido]imino}methyl]phenyl 4-bromobenzoate
8004-1298 Screening compound: 4-bromo-2-[(E)-{[2-(2,4-dichlorophenoxy)acetamido]imino}methyl]phenyl 4-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-1298
4-bromo-2-[(E)-{[2-(2,4-dichlorophenoxy)acetamido]imino}methyl]phenyl 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

8004-1298

Molecular Formula

C22H14Br2Cl2N2O4 (C22 H14 Br2 Cl2 N2 O4)

Compound Name

4-bromo-2-[(E)-{[2-(2,4-dichlorophenoxy)acetamido]imino}methyl]phenyl 4-bromobenzoate

IUPAC name

4-bromo-2-[(E)-{[2-(24-dichlorophenoxy)acetamido]imino}methyl]phenyl 4-bromobenzoate

SMILES

O=C(COc(ccc(Cl)c1)c1Cl)N/N=C/c(cc(cc1)Br)c1OC(c(cc1)ccc1Br)=O

InChI

InChI=1S/C22H14Br2Cl2N2O4/c23-15-3-1-13(2-4-15)22(30)32-19-7-5-16(24)9-14(19)11-27-28-21(29)12-31-20-8-6-17(25)10-18(20)26/h1-11H,12H2,(H,28,29)

InChI Key

ADSQSPPTHZDFEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00333387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

601.08

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.785

Distribution Coefficient, logD

6.780

Water Solubility, LogSw

-6.62

Polar Surface Area

63.391

Acid Dissociation Constant (pKa)

9.38

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 8004-1298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-1298?
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What is the minimum amount of 8004-1298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-1298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-1298
  • 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 8004-1298 available by request