C227-0158 Screening compound: N'-[2-(3,4-diethoxyphenyl)ethyl]-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide

C227-0158 Screening compound: N'-[2-(3,4-diethoxyphenyl)ethyl]-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide
C227-0158 Screening compound: N'-[2-(3,4-diethoxyphenyl)ethyl]-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C227-0158
N'-[2-(3,4-diethoxyphenyl)ethyl]-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

C227-0158

Molecular Formula

C31H40N4O4 (C31 H40 N4 O4)

Compound Name

N'-[2-(3,4-diethoxyphenyl)ethyl]-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide

IUPAC name

N'-[2-(34-diethoxyphenyl)ethyl]-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide

SMILES

CCOc(ccc(CCNC(CCC(Nc1cc2c(C)cc(N3CCCCC3)nc2cc1)=O)=O)c1)c1OCC

InChI

InChI=1S/C31H40N4O4/c1-4-38-27-12-9-23(20-28(27)39-5-2)15-16-32-30(36)13-14-31(37)33-24-10-11-26-25(21-24)22(3)19-29(34-26)35-17-7-6-8-18-35/h9-12,19-21H,4-8,13-18H2,1-3H3,(H,32,36)(H,33,37)

InChI Key

HBMDYSJHCYJGQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.270

Distribution Coefficient, logD

4.270

Water Solubility, LogSw

-4.18

Polar Surface Area

73.096

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.20

C227-0158 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C227-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C227-0158?
Check Price and Availability of C227-0158, 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 C227-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C227-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C227-0158
  • 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 C227-0158 available by request