G868-1367 Screening compound: 2-[4-(1,2-dihydroacenaphthylene-3-sulfonyl)piperazin-1-yl]-4-methyl-6-(piperidin-1-yl)pyrimidine

G868-1367 Screening compound: 2-[4-(1,2-dihydroacenaphthylene-3-sulfonyl)piperazin-1-yl]-4-methyl-6-(piperidin-1-yl)pyrimidine
G868-1367 Screening compound: 2-[4-(1,2-dihydroacenaphthylene-3-sulfonyl)piperazin-1-yl]-4-methyl-6-(piperidin-1-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound G868-1367
2-[4-(1,2-dihydroacenaphthylene-3-sulfonyl)piperazin-1-yl]-4-methyl-6-(piperidin-1-yl)pyrimidine

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

G868-1367

Molecular Formula

C26H31N5O2S (C26 H31 N5 O2 S)

Compound Name

2-[4-(1,2-dihydroacenaphthylene-3-sulfonyl)piperazin-1-yl]-4-methyl-6-(piperidin-1-yl)pyrimidine

IUPAC name

2-[4-(12-dihydroacenaphthylene-3-sulfonyl)piperazin-1-yl]-4-methyl-6-(piperidin-1-yl)pyrimidine

SMILES

Cc1nc(N(CC2)CCN2S(c2c(CC3)c4c3cccc4cc2)(=O)=O)nc(N2CCCCC2)c1

InChI

InChI=1S/C26H31N5O2S/c1-19-18-24(29-12-3-2-4-13-29)28-26(27-19)30-14-16-31(17-15-30)34(32,33)23-11-9-21-7-5-6-20-8-10-22(23)25(20)21/h5-7,9,11,18H,2-4,8,10,12-17H2,1H3

InChI Key

IGAIRFYAMGRCOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09238207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.866

Distribution Coefficient, logD

5.791

Water Solubility, LogSw

-6.50

Polar Surface Area

55.445

Acid Dissociation Constant (pKa)

20.87

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

G868-1367 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 G868-1367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G868-1367?
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What is the minimum amount of G868-1367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G868-1367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G868-1367
  • 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 G868-1367 available by request