8005-7422 Screening compound: 2,4-dibromo-6-[(E)-{[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]imino}methyl]phenyl 3,4,5-trimethoxybenzoate

8005-7422 Screening compound: 2,4-dibromo-6-[(E)-{[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]imino}methyl]phenyl 3,4,5-trimethoxybenzoate
8005-7422 Screening compound: 2,4-dibromo-6-[(E)-{[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]imino}methyl]phenyl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7422
2,4-dibromo-6-[(E)-{[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]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

8005-7422

Molecular Formula

C26H22Br2N2O8 (C26 H22 Br2 N2 O8)

Compound Name

2,4-dibromo-6-[(E)-{[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]imino}methyl]phenyl 3,4,5-trimethoxybenzoate

IUPAC name

24-dibromo-6-[(E)-{[(23-dihydro-14-benzodioxin-6-yl)formamido]imino}methyl]phenyl 345-trimethoxybenzoate

SMILES

COc1cc(C(Oc(c(/C=N/NC(c(cc2)cc3c2OCCO3)=O)cc(Br)c2)c2Br)=O)cc(OC)c1OC

InChI

InChI=1S/C26H22Br2N2O8/c1-33-21-10-15(11-22(34-2)24(21)35-3)26(32)38-23-16(8-17(27)12-18(23)28)13-29-30-25(31)14-4-5-19-20(9-14)37-7-6-36-19/h4-5,8-13H,6-7H2,1-3H3,(H,30,31)

InChI Key

ZDCALBLTRONZPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

650.28

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.594

Distribution Coefficient, logD

4.473

Water Solubility, LogSw

-4.54

Polar Surface Area

94.906

Acid Dissociation Constant (pKa)

7.90

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 8005-7422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7422?
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What is the minimum amount of 8005-7422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7422
  • 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 8005-7422 available by request