8005-7774 Screening compound: 2,4-dibromo-6-[(E)-{[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]imino}methyl]phenyl 2-bromobenzoate

8005-7774 Screening compound: 2,4-dibromo-6-[(E)-{[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]imino}methyl]phenyl 2-bromobenzoate
8005-7774 Screening compound: 2,4-dibromo-6-[(E)-{[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]imino}methyl]phenyl 2-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7774
2,4-dibromo-6-[(E)-{[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]imino}methyl]phenyl 2-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

8005-7774

Molecular Formula

C23H15Br3N2O5 (C23 H15 Br3 N2 O5)

Compound Name

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

IUPAC name

24-dibromo-6-[(E)-{[(23-dihydro-14-benzodioxin-2-yl)formamido]imino}methyl]phenyl 2-bromobenzoate

SMILES

O=C(C1Oc(cccc2)c2OC1)N/N=C/c1cc(Br)cc(Br)c1OC(c(cccc1)c1Br)=O

InChI

InChI=1S/C23H15Br3N2O5/c24-14-9-13(21(17(26)10-14)33-23(30)15-5-1-2-6-16(15)25)11-27-28-22(29)20-12-31-18-7-3-4-8-19(18)32-20/h1-11,20H,12H2,(H,28,29)/t20-/m0/s1

InChI Key

IZWKXXFAKUOJLN-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00822280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

639.09

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.624

Distribution Coefficient, logD

6.430

Water Solubility, LogSw

-6.17

Polar Surface Area

71.542

Acid Dissociation Constant (pKa)

7.65

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 8005-7774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7774?
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What is the minimum amount of 8005-7774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7774
  • 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 8005-7774 available by request