Y021-2249 Screening compound: [4-[(4-benzylpiperazino)methyl]-2,2-dimethyl-1(2H)-quinolinyl](phenyl)methanone

Y021-2249 Screening compound: [4-[(4-benzylpiperazino)methyl]-2,2-dimethyl-1(2H)-quinolinyl](phenyl)methanone
Y021-2249 Screening compound: [4-[(4-benzylpiperazino)methyl]-2,2-dimethyl-1(2H)-quinolinyl](phenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2249
[4-[(4-benzylpiperazino)methyl]-2,2-dimethyl-1(2H)-quinolinyl](phenyl)methanone

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

Y021-2249

Molecular Formula

C30H33N3O (C30 H33 N3 O)

Compound Name

[4-[(4-benzylpiperazino)methyl]-2,2-dimethyl-1(2H)-quinolinyl](phenyl)methanone

IUPAC name

1-benzoyl-4-[(4-benzylpiperazin-1-yl)methyl]-22-dimethyl-12-dihydroquinoline

SMILES

CC1(C)N(C(c2ccccc2)=O)c(cccc2)c2C(CN2CCN(Cc3ccccc3)CC2)=C1

InChI

InChI=1S/C30H33N3O/c1-30(2)21-26(23-32-19-17-31(18-20-32)22-24-11-5-3-6-12-24)27-15-9-10-16-28(27)33(30)29(34)25-13-7-4-8-14-25/h3-16,21H,17-20,22-23H2,1-2H3

InChI Key

UKMNFHCTUVEYPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30711968

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

451.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.849

Distribution Coefficient, logD

4.483

Water Solubility, LogSw

-4.57

Polar Surface Area

21.597

Acid Dissociation Constant (pKa)

28.48

Base Dissociation Constant (pKb)

7.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

Y021-2249 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y021-2249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2249?
Check Price and Availability of Y021-2249, 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 Y021-2249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2249
  • 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 Y021-2249 available by request