8004-9345 Screening compound: 3-[(E)-{[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate

8004-9345 Screening compound: 3-[(E)-{[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate
8004-9345 Screening compound: 3-[(E)-{[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-9345
3-[(E)-{[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate

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

8004-9345

Molecular Formula

C24H18N2O7 (C24 H18 N2 O7)

Compound Name

3-[(E)-{[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate

IUPAC name

3-[(E)-{[(23-dihydro-14-benzodioxin-2-yl)formamido]imino}methyl]phenyl 2H-13-benzodioxole-5-carboxylate

SMILES

O=C(C1Oc(cccc2)c2OC1)N/N=C/c1cccc(OC(c(cc2)cc3c2OCO3)=O)c1

InChI

InChI=1S/C24H18N2O7/c27-23(22-13-29-18-6-1-2-7-20(18)33-22)26-25-12-15-4-3-5-17(10-15)32-24(28)16-8-9-19-21(11-16)31-14-30-19/h1-12,22H,13-14H2,(H,26,27)/t22-/m0/s1

InChI Key

KWYGDBSTTBORAG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00314962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.934

Distribution Coefficient, logD

3.933

Water Solubility, LogSw

-4.27

Polar Surface Area

88.485

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8004-9345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-9345?
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What is the minimum amount of 8004-9345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-9345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-9345
  • 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 8004-9345 available by request