Y021-0879 Screening compound: 1-benzyl-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline-6-carbonitrile

Y021-0879 Screening compound: 1-benzyl-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline-6-carbonitrile
Y021-0879 Screening compound: 1-benzyl-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline-6-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-0879
1-benzyl-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline-6-carbonitrile

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

Y021-0879

Molecular Formula

C20H22N2 (C20 H22 N2)

Compound Name

1-benzyl-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline-6-carbonitrile

IUPAC name

1-benzyl-224-trimethyl-1234-tetrahydroquinoline-6-carbonitrile

SMILES

CC1c(cc(cc2)C#N)c2N(Cc2ccccc2)C(C)(C)C1

InChI

InChI=1S/C20H22N2/c1-15-12-20(2,3)22(14-16-7-5-4-6-8-16)19-10-9-17(13-21)11-18(15)19/h4-11,15H,12,14H2,1-3H3/t15-/m0/s1

InChI Key

LKIXWXBIDZMUEG-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD28384444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.41

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.922

Distribution Coefficient, logD

4.921

Water Solubility, LogSw

-4.62

Polar Surface Area

18.796

Acid Dissociation Constant (pKa)

23.07

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

Y021-0879 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Agro:
  • Agro
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y021-0879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-0879?
Check Price and Availability of Y021-0879, 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 Y021-0879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-0879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-0879
  • 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 Y021-0879 available by request