C612-1204 Screening compound: N-(4-ETHOXYPHENYL)-2-[4-(MORPHOLINOCARBONYL)PIPERIDINO]ISONICOTINAMIDE

C612-1204 Screening compound: N-(4-ETHOXYPHENYL)-2-[4-(MORPHOLINOCARBONYL)PIPERIDINO]ISONICOTINAMIDE
C612-1204 Screening compound: N-(4-ETHOXYPHENYL)-2-[4-(MORPHOLINOCARBONYL)PIPERIDINO]ISONICOTINAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-1204
N-(4-ETHOXYPHENYL)-2-[4-(MORPHOLINOCARBONYL)PIPERIDINO]ISONICOTINAMIDE

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

C612-1204

Molecular Formula

C24H30N4O4 (C24 H30 N4 O4)

Compound Name

N-(4-ETHOXYPHENYL)-2-[4-(MORPHOLINOCARBONYL)PIPERIDINO]ISONICOTINAMIDE

IUPAC name

n/a

SMILES

CCOc(cc1)ccc1NC(c1cc(N(CC2)CCC2C(N2CCOCC2)=O)ncc1)=O

InChI

InChI=1S/C24H30N4O4/c1-2-32-21-5-3-20(4-6-21)26-23(29)19-7-10-25-22(17-19)27-11-8-18(9-12-27)24(30)28-13-15-31-16-14-28/h3-7,10,17-18H,2,8-9,11-16H2,1H3,(H,26,29)

InChI Key

RPGCGWMLCVYRPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.861

Distribution Coefficient, logD

2.861

Water Solubility, LogSw

-3.35

Polar Surface Area

66.974

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

8.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

C612-1204 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C612-1204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-1204?
Check Price and Availability of C612-1204, 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 C612-1204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-1204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-1204
  • 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 C612-1204 available by request