8005-7157 Screening compound: 4-[(E)-{[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]imino}methyl]phenyl 2-chlorobenzoate

8005-7157 Screening compound: 4-[(E)-{[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]imino}methyl]phenyl 2-chlorobenzoate
8005-7157 Screening compound: 4-[(E)-{[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]imino}methyl]phenyl 2-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7157
4-[(E)-{[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]imino}methyl]phenyl 2-chlorobenzoate

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

8005-7157

Molecular Formula

C23H17ClN2O5 (C23 H17 ClN2 O5)

Compound Name

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

IUPAC name

4-[(E)-{[(23-dihydro-14-benzodioxin-6-yl)formamido]imino}methyl]phenyl 2-chlorobenzoate

SMILES

O=C(c(cc1)cc2c1OCCO2)N/N=C/c(cc1)ccc1OC(c(cccc1)c1Cl)=O

InChI

InChI=1S/C23H17ClN2O5/c24-19-4-2-1-3-18(19)23(28)31-17-8-5-15(6-9-17)14-25-26-22(27)16-7-10-20-21(13-16)30-12-11-29-20/h1-10,13-14H,11-12H2,(H,26,27)

InChI Key

SQNGRAAZMDSDOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.85

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

3.860

Distribution Coefficient, logD

3.859

Water Solubility, LogSw

-4.38

Polar Surface Area

71.755

Acid Dissociation Constant (pKa)

10.02

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

8005-7157 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8005-7157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7157?
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What is the minimum amount of 8005-7157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7157
  • 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 8005-7157 available by request