F502-0095 Screening compound: 2-{4-[5-(methoxycarbonyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-amido]phenyl}acetic acid

F502-0095 Screening compound: 2-{4-[5-(methoxycarbonyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-amido]phenyl}acetic acid
F502-0095 Screening compound: 2-{4-[5-(methoxycarbonyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-amido]phenyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F502-0095
2-{4-[5-(methoxycarbonyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-amido]phenyl}acetic 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

F502-0095

Molecular Formula

C17H16N2O6 (C17 H16 N2 O6)

Compound Name

2-{4-[5-(methoxycarbonyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-amido]phenyl}acetic acid

IUPAC name

2-{4-[5-(methoxycarbonyl)-6-methyl-2-oxo-12-dihydropyridine-3-amido]phenyl}acetic acid

SMILES

CC(NC(C(C(Nc1ccc(CC(O)=O)cc1)=O)=C1)=O)=C1C(OC)=O

InChI

InChI=1S/C17H16N2O6/c1-9-12(17(24)25-2)8-13(15(22)18-9)16(23)19-11-5-3-10(4-6-11)7-14(20)21/h3-6,8H,7H2,1-2H3,(H,18,22)(H,19,23)(H,20,21)

InChI Key

KXALEYXAIISRGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14957230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.32

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.759

Distribution Coefficient, logD

-3.089

Water Solubility, LogSw

-1.67

Polar Surface Area

97.416

Acid Dissociation Constant (pKa)

3.55

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

F502-0095 in Drug Discovery

Included in Screening Libraries

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

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F502-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F502-0095?
Check Price and Availability of F502-0095, 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 F502-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F502-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F502-0095
  • 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 F502-0095 available by request