G397-0878 Screening compound: N-({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

G397-0878 Screening compound: N-({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
G397-0878 Screening compound: N-({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G397-0878
N-({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

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

G397-0878

Molecular Formula

C26H36N6O2S (C26 H36 N6 O2 S)

Compound Name

N-({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

IUPAC name

N-({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)-1-[5-(2-oxopyrrolidin-1-yl)-134-thiadiazol-2-yl]piperidine-4-carboxamide

SMILES

Cc1c(CN2CCC(CNC(C(CC3)CCN3c3nnc(N(CCC4)C4=O)s3)=O)CC2)cccc1

InChI

InChI=1S/C26H36N6O2S/c1-19-5-2-3-6-22(19)18-30-13-8-20(9-14-30)17-27-24(34)21-10-15-31(16-11-21)25-28-29-26(35-25)32-12-4-7-23(32)33/h2-3,5-6,20-21H,4,7-18H2,1H3,(H,27,34)

InChI Key

SAVWAMLSMIBEBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.68

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

3.752

Distribution Coefficient, logD

1.783

Water Solubility, LogSw

-3.74

Polar Surface Area

71.787

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

9.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

G397-0878 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G397-0878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G397-0878?
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What is the minimum amount of G397-0878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G397-0878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G397-0878
  • 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 G397-0878 available by request