C227-0252 Screening compound: 4-(4-benzylpiperazin-1-yl)-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]-4-oxobutanamide

C227-0252 Screening compound: 4-(4-benzylpiperazin-1-yl)-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]-4-oxobutanamide
C227-0252 Screening compound: 4-(4-benzylpiperazin-1-yl)-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C227-0252
4-(4-benzylpiperazin-1-yl)-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]-4-oxobutanamide

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

C227-0252

Molecular Formula

C31H39N5O2 (C31 H39 N5 O2)

Compound Name

4-(4-benzylpiperazin-1-yl)-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]-4-oxobutanamide

IUPAC name

4-(4-benzylpiperazin-1-yl)-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]-4-oxobutanamide

SMILES

CC(CC1)CCN1c1cc(C)c(cc(cc2)NC(CCC(N3CCN(Cc4ccccc4)CC3)=O)=O)c2n1

InChI

InChI=1S/C31H39N5O2/c1-23-12-14-35(15-13-23)29-20-24(2)27-21-26(8-9-28(27)33-29)32-30(37)10-11-31(38)36-18-16-34(17-19-36)22-25-6-4-3-5-7-25/h3-9,20-21,23H,10-19,22H2,1-2H3,(H,32,37)

InChI Key

RCADLAJUIIWTGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.727

Distribution Coefficient, logD

4.694

Water Solubility, LogSw

-4.51

Polar Surface Area

54.296

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.20

C227-0252 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C227-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C227-0252?
Check Price and Availability of C227-0252, 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 C227-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C227-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C227-0252
  • 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 C227-0252 available by request