C378-0426 Screening compound: 3-{[1,4'-bipiperidine]-1'-carbonyl}-4-(4-methylphenyl)-1H-isochromen-1-one

C378-0426 Screening compound: 3-{[1,4'-bipiperidine]-1'-carbonyl}-4-(4-methylphenyl)-1H-isochromen-1-one
C378-0426 Screening compound: 3-{[1,4'-bipiperidine]-1'-carbonyl}-4-(4-methylphenyl)-1H-isochromen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C378-0426
3-{[1,4'-bipiperidine]-1'-carbonyl}-4-(4-methylphenyl)-1H-isochromen-1-one

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

C378-0426

Molecular Formula

C27H30N2O3 (C27 H30 N2 O3)

Compound Name

3-{[1,4'-bipiperidine]-1'-carbonyl}-4-(4-methylphenyl)-1H-isochromen-1-one

IUPAC name

3-{[14'-bipiperidine]-1'-carbonyl}-4-(4-methylphenyl)-1H-isochromen-1-one

SMILES

Cc(cc1)ccc1C(c1c2cccc1)=C(C(N(CC1)CCC1N1CCCCC1)=O)OC2=O

InChI

InChI=1S/C27H30N2O3/c1-19-9-11-20(12-10-19)24-22-7-3-4-8-23(22)27(31)32-25(24)26(30)29-17-13-21(14-18-29)28-15-5-2-6-16-28/h3-4,7-12,21H,2,5-6,13-18H2,1H3

InChI Key

WIGLIRZLGHDQAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.308

Distribution Coefficient, logD

0.899

Water Solubility, LogSw

-4.37

Polar Surface Area

40.709

Acid Dissociation Constant (pKa)

28.06

Base Dissociation Constant (pKb)

10.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

C378-0426 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C378-0426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C378-0426?
Check Price and Availability of C378-0426, 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 C378-0426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C378-0426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C378-0426
  • 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 C378-0426 available by request