4130-3526 Screening compound: 2-chloro-N-[2-(morpholin-4-yl)ethyl]-5-nitrobenzamide

4130-3526 Screening compound: 2-chloro-N-[2-(morpholin-4-yl)ethyl]-5-nitrobenzamide
4130-3526 Screening compound: 2-chloro-N-[2-(morpholin-4-yl)ethyl]-5-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-3526
2-chloro-N-[2-(morpholin-4-yl)ethyl]-5-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

4130-3526

Molecular Formula

C13H16ClN3O4 (C13 H16 ClN3 O4)

Compound Name

2-chloro-N-[2-(morpholin-4-yl)ethyl]-5-nitrobenzamide

IUPAC name

2-chloro-N-[2-(morpholin-4-yl)ethyl]-5-nitrobenzamide

SMILES

[O-][N+](c(cc1)cc(C(NCCN2CCOCC2)=O)c1Cl)=O

InChI

InChI=1S/C13H16ClN3O4/c14-12-2-1-10(17(19)20)9-11(12)13(18)15-3-4-16-5-7-21-8-6-16/h1-2,9H,3-8H2,(H,15,18)

InChI Key

AQPFXWDONFUCFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01107083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.74

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.529

Distribution Coefficient, logD

1.515

Water Solubility, LogSw

-3.06

Polar Surface Area

69.766

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

4130-3526 in Drug Discovery

Included in Screening Libraries

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4130-3526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-3526?
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What is the minimum amount of 4130-3526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-3526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-3526
  • 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 4130-3526 available by request