G868-1055 Screening compound: 2-[4-(1,2-dihydroacenaphthylene-3-sulfonyl)piperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine

G868-1055 Screening compound: 2-[4-(1,2-dihydroacenaphthylene-3-sulfonyl)piperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine
G868-1055 Screening compound: 2-[4-(1,2-dihydroacenaphthylene-3-sulfonyl)piperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G868-1055
2-[4-(1,2-dihydroacenaphthylene-3-sulfonyl)piperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine

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

G868-1055

Molecular Formula

C23H27N5O2S (C23 H27 N5 O2 S)

Compound Name

2-[4-(1,2-dihydroacenaphthylene-3-sulfonyl)piperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine

IUPAC name

2-[4-(12-dihydroacenaphthylene-3-sulfonyl)piperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine

SMILES

CCNc1cc(C)nc(N(CC2)CCN2S(c2c(CC3)c4c3cccc4cc2)(=O)=O)n1

InChI

InChI=1S/C23H27N5O2S/c1-3-24-21-15-16(2)25-23(26-21)27-11-13-28(14-12-27)31(29,30)20-10-8-18-6-4-5-17-7-9-19(20)22(17)18/h4-6,8,10,15H,3,7,9,11-14H2,1-2H3,(H,24,25,26)

InChI Key

CXRQHSRUDMNJGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08534068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.533

Distribution Coefficient, logD

4.364

Water Solubility, LogSw

-4.77

Polar Surface Area

63.228

Acid Dissociation Constant (pKa)

18.32

Base Dissociation Constant (pKb)

7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

G868-1055 in Drug Discovery

Included in Screening Libraries

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 G868-1055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G868-1055?
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What is the minimum amount of G868-1055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G868-1055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G868-1055
  • 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 G868-1055 available by request