8001-6687 Screening compound: 2-{[(3-methylphenyl)imino]methyl}phenyl 2,4-dichlorobenzoate

8001-6687 Screening compound: 2-{[(3-methylphenyl)imino]methyl}phenyl 2,4-dichlorobenzoate
8001-6687 Screening compound: 2-{[(3-methylphenyl)imino]methyl}phenyl 2,4-dichlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-6687
2-{[(3-methylphenyl)imino]methyl}phenyl 2,4-dichlorobenzoate

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

8001-6687

Molecular Formula

C21H15Cl2NO2 (C21 H15 Cl2 NO2)

Compound Name

2-{[(3-methylphenyl)imino]methyl}phenyl 2,4-dichlorobenzoate

IUPAC name

n/a

SMILES

Cc1cccc(/N=C/c(cccc2)c2OC(c(ccc(Cl)c2)c2Cl)=O)c1

InChI

InChI=1S/C21H15Cl2NO2/c1-14-5-4-7-17(11-14)24-13-15-6-2-3-8-20(15)26-21(25)18-10-9-16(22)12-19(18)23/h2-13H,1H3

InChI Key

HOXVBDNBQGLBDF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.463

Distribution Coefficient, logD

6.463

Water Solubility, LogSw

-6.28

Polar Surface Area

28.830

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 8001-6687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-6687?
Check Price and Availability of 8001-6687, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8001-6687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-6687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-6687
  • 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 8001-6687 available by request