4502-0351 Screening compound: 4-chloro-N-[3-(morpholin-4-yl)propyl]-2-nitrobenzamide

4502-0351 Screening compound: 4-chloro-N-[3-(morpholin-4-yl)propyl]-2-nitrobenzamide
4502-0351 Screening compound: 4-chloro-N-[3-(morpholin-4-yl)propyl]-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4502-0351
4-chloro-N-[3-(morpholin-4-yl)propyl]-2-nitrobenzamide

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

4502-0351

Molecular Formula

C14H18ClN3O4 (C14 H18 ClN3 O4)

Compound Name

4-chloro-N-[3-(morpholin-4-yl)propyl]-2-nitrobenzamide

IUPAC name

4-chloro-N-[3-(morpholin-4-yl)propyl]-2-nitrobenzamide

SMILES

[O-][N+](c(cc(cc1)Cl)c1C(NCCCN1CCOCC1)=O)=O

InChI

InChI=1S/C14H18ClN3O4/c15-11-2-3-12(13(10-11)18(20)21)14(19)16-4-1-5-17-6-8-22-9-7-17/h2-3,10H,1,4-9H2,(H,16,19)

InChI Key

NQKVIUQQUPIAFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02049696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.77

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.562

Distribution Coefficient, logD

1.174

Water Solubility, LogSw

-2.95

Polar Surface Area

69.465

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

4502-0351 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4502-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4502-0351?
Check Price and Availability of 4502-0351, 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 4502-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4502-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4502-0351
  • 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 4502-0351 available by request