Y021-0953 Screening compound: 1-(2,2,4,7-tetramethyl-1,2,3,4-tetrahydroquinolin-6-yl)ethan-1-one

Y021-0953 Screening compound: 1-(2,2,4,7-tetramethyl-1,2,3,4-tetrahydroquinolin-6-yl)ethan-1-one
Y021-0953 Screening compound: 1-(2,2,4,7-tetramethyl-1,2,3,4-tetrahydroquinolin-6-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-0953
1-(2,2,4,7-tetramethyl-1,2,3,4-tetrahydroquinolin-6-yl)ethan-1-one

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

Y021-0953

Molecular Formula

C15H21NO (C15 H21 NO)

Compound Name

1-(2,2,4,7-tetramethyl-1,2,3,4-tetrahydroquinolin-6-yl)ethan-1-one

IUPAC name

1-(2247-tetramethyl-1234-tetrahydroquinolin-6-yl)ethan-1-one

SMILES

CC1c2cc(C(C)=O)c(C)cc2NC(C)(C)C1

InChI

InChI=1S/C15H21NO/c1-9-6-14-13(7-12(9)11(3)17)10(2)8-15(4,5)16-14/h6-7,10,16H,8H2,1-5H3/t10-/m0/s1

InChI Key

DHVPHAXLFLPTMP-JTQLQIEISA-N

MDL Number (MFCD)

MFCD29912282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

231.34

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.158

Distribution Coefficient, logD

3.144

Water Solubility, LogSw

-3.26

Polar Surface Area

25.264

Acid Dissociation Constant (pKa)

18.97

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.33

Y021-0953 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y021-0953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-0953?
Check Price and Availability of Y021-0953, 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 Y021-0953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-0953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-0953
  • 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 Y021-0953 available by request