8007-7695 Screening compound: 4-[(Z)-{[(2H-1,3-benzodioxol-5-yl)formamido]imino}methyl]-2-methoxyphenyl naphthalene-1-carboxylate

8007-7695 Screening compound: 4-[(Z)-{[(2H-1,3-benzodioxol-5-yl)formamido]imino}methyl]-2-methoxyphenyl naphthalene-1-carboxylate
8007-7695 Screening compound: 4-[(Z)-{[(2H-1,3-benzodioxol-5-yl)formamido]imino}methyl]-2-methoxyphenyl naphthalene-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-7695
4-[(Z)-{[(2H-1,3-benzodioxol-5-yl)formamido]imino}methyl]-2-methoxyphenyl naphthalene-1-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

8007-7695

Molecular Formula

C27H20N2O6 (C27 H20 N2 O6)

Compound Name

4-[(Z)-{[(2H-1,3-benzodioxol-5-yl)formamido]imino}methyl]-2-methoxyphenyl naphthalene-1-carboxylate

IUPAC name

4-[(Z)-{[(2H-13-benzodioxol-5-yl)formamido]imino}methyl]-2-methoxyphenyl naphthalene-1-carboxylate

SMILES

COc(cc(/C=N\NC(c(cc1)cc2c1OCO2)=O)cc1)c1OC(c1cccc2ccccc12)=O

InChI

InChI=1S/C27H20N2O6/c1-32-24-13-17(15-28-29-26(30)19-10-12-22-25(14-19)34-16-33-22)9-11-23(24)35-27(31)21-8-4-6-18-5-2-3-7-20(18)21/h2-15H,16H2,1H3,(H,29,30)

InChI Key

UQHHWTDMGNTNQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01304307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.233

Distribution Coefficient, logD

5.232

Water Solubility, LogSw

-6.05

Polar Surface Area

80.493

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

References: we are preparing a list of scientific research reports with 8007-7695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-7695?
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What is the minimum amount of 8007-7695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-7695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-7695
  • 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 8007-7695 available by request