8019-8841 Screening compound: 3,3-dimethyl-5-oxo-5-{3-[2-(4-pyridyl)ethyl]anilino}pentanoic acid

8019-8841 Screening compound: 3,3-dimethyl-5-oxo-5-{3-[2-(4-pyridyl)ethyl]anilino}pentanoic acid
8019-8841 Screening compound: 3,3-dimethyl-5-oxo-5-{3-[2-(4-pyridyl)ethyl]anilino}pentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8841
3,3-dimethyl-5-oxo-5-{3-[2-(4-pyridyl)ethyl]anilino}pentanoic 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

8019-8841

Molecular Formula

C20H24N2O3 (C20 H24 N2 O3)

Compound Name

3,3-dimethyl-5-oxo-5-{3-[2-(4-pyridyl)ethyl]anilino}pentanoic acid

IUPAC name

33-dimethyl-4-({3-[2-(pyridin-4-yl)ethyl]phenyl}carbamoyl)butanoic acid

SMILES

CC(C)(CC(Nc1cc(CCc2ccncc2)ccc1)=O)CC(O)=O

InChI

InChI=1S/C20H24N2O3/c1-20(2,14-19(24)25)13-18(23)22-17-5-3-4-16(12-17)7-6-15-8-10-21-11-9-15/h3-5,8-12H,6-7,13-14H2,1-2H3,(H,22,23)(H,24,25)

InChI Key

FVKDHPRLZPDOIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.645

Distribution Coefficient, logD

0.109

Water Solubility, LogSw

-2.57

Polar Surface Area

60.928

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

8019-8841 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

CNS Targets (44014 compounds)

Integrin Receptors Targeted library (1715 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Others
  • Others
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8019-8841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8841?
Check Price and Availability of 8019-8841, 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 8019-8841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8841
  • 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 8019-8841 available by request