2072-0649 Screening compound: 2,4-dichloro-N-[3-(3-propoxybenzamido)phenyl]benzamide

2072-0649 Screening compound: 2,4-dichloro-N-[3-(3-propoxybenzamido)phenyl]benzamide
2072-0649 Screening compound: 2,4-dichloro-N-[3-(3-propoxybenzamido)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2072-0649
2,4-dichloro-N-[3-(3-propoxybenzamido)phenyl]benzamide

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

2072-0649

Molecular Formula

C23H20Cl2N2O3 (C23 H20 Cl2 N2 O3)

Compound Name

2,4-dichloro-N-[3-(3-propoxybenzamido)phenyl]benzamide

IUPAC name

24-dichloro-N-[3-(3-propoxybenzamido)phenyl]benzamide

SMILES

CCCOc1cccc(C(Nc2cccc(NC(c(ccc(Cl)c3)c3Cl)=O)c2)=O)c1

InChI

InChI=1S/C23H20Cl2N2O3/c1-2-11-30-19-8-3-5-15(12-19)22(28)26-17-6-4-7-18(14-17)27-23(29)20-10-9-16(24)13-21(20)25/h3-10,12-14H,2,11H2,1H3,(H,26,28)(H,27,29)

InChI Key

VKMGIUDKYXTTTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01527834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.071

Distribution Coefficient, logD

6.065

Water Solubility, LogSw

-6.17

Polar Surface Area

53.839

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

2072-0649 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 2072-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2072-0649?
Check Price and Availability of 2072-0649, 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 2072-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2072-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2072-0649
  • 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 2072-0649 available by request