Y043-8168 Screening compound: 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-3-quinolinecarboxylic acid

Y043-8168 Screening compound: 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-3-quinolinecarboxylic acid
Y043-8168 Screening compound: 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-3-quinolinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8168
2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-3-quinolinecarboxylic 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

Y043-8168

Molecular Formula

C17H17N3O3 (C17 H17 N3 O3)

Compound Name

2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-3-quinolinecarboxylic acid

IUPAC name

2-[4-methyl-5-oxo-4-(propan-2-yl)-45-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid

SMILES

CC(C)C1(C)N=C(c2nc3ccccc3cc2C(O)=O)NC1=O

InChI

InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)/t17-/m0/s1

InChI Key

CABMTIJINOIHOD-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00778521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.118

Distribution Coefficient, logD

0.070

Water Solubility, LogSw

-3.01

Polar Surface Area

73.540

Acid Dissociation Constant (pKa)

5.36

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.41

Y043-8168 in Drug Discovery

Included in Screening Libraries

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

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y043-8168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8168?
Check Price and Availability of Y043-8168, 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 Y043-8168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8168
  • 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 Y043-8168 available by request