P772-0078 Screening compound: 2-(4-chlorophenoxy)-N~1~-{3-[(7-chloro-4-quinolyl)amino]propyl}-N~1~-methylacetamide

P772-0078 Screening compound: 2-(4-chlorophenoxy)-N~1~-{3-[(7-chloro-4-quinolyl)amino]propyl}-N~1~-methylacetamide
P772-0078 Screening compound: 2-(4-chlorophenoxy)-N~1~-{3-[(7-chloro-4-quinolyl)amino]propyl}-N~1~-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P772-0078
2-(4-chlorophenoxy)-N~1~-{3-[(7-chloro-4-quinolyl)amino]propyl}-N~1~-methylacetamide

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

P772-0078

Molecular Formula

C21H21Cl2N3O2 (C21 H21 Cl2 N3 O2)

Compound Name

2-(4-chlorophenoxy)-N~1~-{3-[(7-chloro-4-quinolyl)amino]propyl}-N~1~-methylacetamide

IUPAC name

n/a

SMILES

CN(CCCNc1c(ccc(Cl)c2)c2ncc1)C(COc(cc1)ccc1Cl)=O

InChI

InChI=1S/C21H21Cl2N3O2/c1-26(21(27)14-28-17-6-3-15(22)4-7-17)12-2-10-24-19-9-11-25-20-13-16(23)5-8-18(19)20/h3-9,11,13H,2,10,12,14H2,1H3,(H,24,25)

InChI Key

BVGIDLVUAIMCGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14324801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.195

Distribution Coefficient, logD

3.745

Water Solubility, LogSw

-4.47

Polar Surface Area

41.752

Acid Dissociation Constant (pKa)

18.66

Base Dissociation Constant (pKb)

7.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

P772-0078 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P772-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P772-0078?
Check Price and Availability of P772-0078, 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 P772-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P772-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P772-0078
  • 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 P772-0078 available by request