3416-0359 Screening compound: 3-(dibenzylcarbamoyl)propanoic acid

3416-0359 Screening compound: 3-(dibenzylcarbamoyl)propanoic acid
3416-0359 Screening compound: 3-(dibenzylcarbamoyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3416-0359
3-(dibenzylcarbamoyl)propanoic acid

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

3416-0359

Molecular Formula

C18H19NO3 (C18 H19 NO3)

Compound Name

3-(dibenzylcarbamoyl)propanoic acid

IUPAC name

3-(dibenzylcarbamoyl)propanoic acid

SMILES

OC(CCC(N(Cc1ccccc1)Cc1ccccc1)=O)=O

InChI

InChI=1S/C18H19NO3/c20-17(11-12-18(21)22)19(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,21,22)

InChI Key

OHLOFGIPLRRVHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00585994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.088

Distribution Coefficient, logD

-0.862

Water Solubility, LogSw

-2.30

Polar Surface Area

44.306

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

3416-0359 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3416-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3416-0359?
Check Price and Availability of 3416-0359, 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 3416-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3416-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3416-0359
  • 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 3416-0359 available by request