5596-0908 Screening compound: methyl 3-[4-(3-methylphenoxy)butanamido]benzoate

5596-0908 Screening compound: methyl 3-[4-(3-methylphenoxy)butanamido]benzoate
5596-0908 Screening compound: methyl 3-[4-(3-methylphenoxy)butanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5596-0908
methyl 3-[4-(3-methylphenoxy)butanamido]benzoate

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

5596-0908

Molecular Formula

C19H21NO4 (C19 H21 NO4)

Compound Name

methyl 3-[4-(3-methylphenoxy)butanamido]benzoate

IUPAC name

methyl 3-[4-(3-methylphenoxy)butanamido]benzoate

SMILES

Cc1cccc(OCCCC(Nc2cccc(C(OC)=O)c2)=O)c1

InChI

InChI=1S/C19H21NO4/c1-14-6-3-9-17(12-14)24-11-5-10-18(21)20-16-8-4-7-15(13-16)19(22)23-2/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,20,21)

InChI Key

AANNYFBFXRKCKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02367873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.055

Distribution Coefficient, logD

4.055

Water Solubility, LogSw

-4.18

Polar Surface Area

51.708

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

5596-0908 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 5596-0908 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5596-0908?
Check Price and Availability of 5596-0908, 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 5596-0908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5596-0908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5596-0908
  • 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 5596-0908 available by request