Y021-0076 Screening compound: ethyl 2-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboxylate

Y021-0076 Screening compound: ethyl 2-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboxylate
Y021-0076 Screening compound: ethyl 2-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-0076
ethyl 2-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboxylate

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

Y021-0076

Molecular Formula

C12H15NO3 (C12 H15 NO3)

Compound Name

ethyl 2-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboxylate

IUPAC name

ethyl 2-hydroxy-5678-tetrahydroquinoline-3-carboxylate

SMILES

CCOC(c(cc(CCCC1)c1n1)c1O)=O

InChI

InChI=1S/C12H15NO3/c1-2-16-12(15)9-7-8-5-3-4-6-10(8)13-11(9)14/h7H,2-6H2,1H3,(H,13,14)

InChI Key

VWXDFGFPIDIOBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22374917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.26

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

2.453

Distribution Coefficient, logD

2.442

Water Solubility, LogSw

-2.38

Polar Surface Area

47.990

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y021-0076 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y021-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-0076?
Check Price and Availability of Y021-0076, 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 Y021-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-0076
  • 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 Y021-0076 available by request