Y020-6062 Screening compound: 2-(1,2,3,4-tetrahydroquinoline-1-carbonyl)cyclohexane-1-carboxylic acid

Y020-6062 Screening compound: 2-(1,2,3,4-tetrahydroquinoline-1-carbonyl)cyclohexane-1-carboxylic acid
Y020-6062 Screening compound: 2-(1,2,3,4-tetrahydroquinoline-1-carbonyl)cyclohexane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6062
2-(1,2,3,4-tetrahydroquinoline-1-carbonyl)cyclohexane-1-carboxylic 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

Y020-6062

Molecular Formula

C17H21NO3 (C17 H21 NO3)

Compound Name

2-(1,2,3,4-tetrahydroquinoline-1-carbonyl)cyclohexane-1-carboxylic acid

IUPAC name

2-(1234-tetrahydroquinoline-1-carbonyl)cyclohexane-1-carboxylic acid

SMILES

OC(C(CCCC1)C1C(N(CCC1)c2c1cccc2)=O)=O

InChI

InChI=1S/C17H21NO3/c19-16(13-8-2-3-9-14(13)17(20)21)18-11-5-7-12-6-1-4-10-15(12)18/h1,4,6,10,13-14H,2-3,5,7-9,11H2,(H,20,21)

InChI Key

HZTXZXRKICEPTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01034772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.665

Distribution Coefficient, logD

0.014

Water Solubility, LogSw

-3.05

Polar Surface Area

44.152

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.90

Y020-6062 in Drug Discovery

Included in Screening Libraries

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

Antiviral Library (67538 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y020-6062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6062?
Check Price and Availability of Y020-6062, 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 Y020-6062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6062
  • 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 Y020-6062 available by request