8005-7155 Screening compound: 3-{[(E)-2-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)hydrazono]methyl}phenyl 3-fluorobenzoate

8005-7155 Screening compound: 3-{[(E)-2-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)hydrazono]methyl}phenyl 3-fluorobenzoate
8005-7155 Screening compound: 3-{[(E)-2-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)hydrazono]methyl}phenyl 3-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7155
3-{[(E)-2-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)hydrazono]methyl}phenyl 3-fluorobenzoate

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

8005-7155

Molecular Formula

C23H17FN2O5 (C23 H17 FN2 O5)

Compound Name

3-{[(E)-2-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)hydrazono]methyl}phenyl 3-fluorobenzoate

IUPAC name

3-[(E)-{[(23-dihydro-14-benzodioxin-2-yl)formamido]imino}methyl]phenyl 3-fluorobenzoate

SMILES

O=C(C1Oc(cccc2)c2OC1)N/N=C/c1cccc(OC(c2cccc(F)c2)=O)c1

InChI

InChI=1S/C23H17FN2O5/c24-17-7-4-6-16(12-17)23(28)30-18-8-3-5-15(11-18)13-25-26-22(27)21-14-29-19-9-1-2-10-20(19)31-21/h1-13,21H,14H2,(H,26,27)/t21-/m0/s1

InChI Key

VOAQICJNQNLDFB-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00821748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.4

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

4.134

Distribution Coefficient, logD

4.133

Water Solubility, LogSw

-4.47

Polar Surface Area

71.369

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

8005-7155 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8005-7155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7155?
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What is the minimum amount of 8005-7155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7155
  • 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 8005-7155 available by request