4596-0090 Screening compound: N-{2-[(4-methylphenyl)formamido]ethyl}-2-(morpholin-4-yl)acetamide

4596-0090 Screening compound: N-{2-[(4-methylphenyl)formamido]ethyl}-2-(morpholin-4-yl)acetamide
4596-0090 Screening compound: N-{2-[(4-methylphenyl)formamido]ethyl}-2-(morpholin-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4596-0090
N-{2-[(4-methylphenyl)formamido]ethyl}-2-(morpholin-4-yl)acetamide

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

4596-0090

Molecular Formula

C16H23N3O3 (C16 H23 N3 O3)

Compound Name

N-{2-[(4-methylphenyl)formamido]ethyl}-2-(morpholin-4-yl)acetamide

IUPAC name

N-{2-[(4-methylphenyl)formamido]ethyl}-2-(morpholin-4-yl)acetamide

SMILES

Cc(cc1)ccc1C(NCCNC(CN1CCOCC1)=O)=O

InChI

InChI=1S/C16H23N3O3/c1-13-2-4-14(5-3-13)16(21)18-7-6-17-15(20)12-19-8-10-22-11-9-19/h2-5H,6-12H2,1H3,(H,17,20)(H,18,21)

InChI Key

GSLMBINZCVHYOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01615250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.332

Distribution Coefficient, logD

0.330

Water Solubility, LogSw

-1.78

Polar Surface Area

60.719

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

4596-0090 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Selective Target Activity Profiling Library (14702 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
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 4596-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4596-0090?
Check Price and Availability of 4596-0090, 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 4596-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4596-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4596-0090
  • 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 4596-0090 available by request