8012-7452 Screening compound: N~1~,N~3~-bis[2-(4-chlorophenoxy)ethyl]isophthalamide

8012-7452 Screening compound: N~1~,N~3~-bis[2-(4-chlorophenoxy)ethyl]isophthalamide
8012-7452 Screening compound: N~1~,N~3~-bis[2-(4-chlorophenoxy)ethyl]isophthalamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7452
N~1~,N~3~-bis[2-(4-chlorophenoxy)ethyl]isophthalamide

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

8012-7452

Molecular Formula

C24H22Cl2N2O4 (C24 H22 Cl2 N2 O4)

Compound Name

N~1~,N~3~-bis[2-(4-chlorophenoxy)ethyl]isophthalamide

IUPAC name

N1N3-bis[2-(4-chlorophenoxy)ethyl]benzene-13-dicarboxamide

SMILES

O=C(c1cccc(C(NCCOc(cc2)ccc2Cl)=O)c1)NCCOc(cc1)ccc1Cl

InChI

InChI=1S/C24H22Cl2N2O4/c25-19-4-8-21(9-5-19)31-14-12-27-23(29)17-2-1-3-18(16-17)24(30)28-13-15-32-22-10-6-20(26)7-11-22/h1-11,16H,12-15H2,(H,27,29)(H,28,30)

InChI Key

NZSWQRZPSZPZDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02628132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.219

Distribution Coefficient, logD

5.219

Water Solubility, LogSw

-5.89

Polar Surface Area

63.584

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with 8012-7452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7452?
Check Price and Availability of 8012-7452, 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 8012-7452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7452
  • 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 8012-7452 available by request