C227-0165 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide

C227-0165 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide
C227-0165 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C227-0165
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide

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

C227-0165

Molecular Formula

C27H30N4O4 (C27 H30 N4 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-N'-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide

SMILES

Cc1c(cc(cc2)NC(CCC(NCc(cc3)cc4c3OCO4)=O)=O)c2nc(N2CCCCC2)c1

InChI

InChI=1S/C27H30N4O4/c1-18-13-25(31-11-3-2-4-12-31)30-22-7-6-20(15-21(18)22)29-27(33)10-9-26(32)28-16-19-5-8-23-24(14-19)35-17-34-23/h5-8,13-15H,2-4,9-12,16-17H2,1H3,(H,28,32)(H,29,33)

InChI Key

USLIHTJKYCEPLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.400

Distribution Coefficient, logD

4.400

Water Solubility, LogSw

-4.29

Polar Surface Area

75.950

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

C227-0165 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C227-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C227-0165?
Check Price and Availability of C227-0165, 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 C227-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C227-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C227-0165
  • 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 C227-0165 available by request