G868-1522 Screening compound: 4-methyl-6-(4-methylpiperazin-1-yl)-2-[4-(4-phenoxybenzenesulfonyl)piperazin-1-yl]pyrimidine

G868-1522 Screening compound: 4-methyl-6-(4-methylpiperazin-1-yl)-2-[4-(4-phenoxybenzenesulfonyl)piperazin-1-yl]pyrimidine
G868-1522 Screening compound: 4-methyl-6-(4-methylpiperazin-1-yl)-2-[4-(4-phenoxybenzenesulfonyl)piperazin-1-yl]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound G868-1522
4-methyl-6-(4-methylpiperazin-1-yl)-2-[4-(4-phenoxybenzenesulfonyl)piperazin-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

G868-1522

Molecular Formula

C26H32N6O3S (C26 H32 N6 O3 S)

Compound Name

4-methyl-6-(4-methylpiperazin-1-yl)-2-[4-(4-phenoxybenzenesulfonyl)piperazin-1-yl]pyrimidine

IUPAC name

4-methyl-6-(4-methylpiperazin-1-yl)-2-[4-(4-phenoxybenzenesulfonyl)piperazin-1-yl]pyrimidine

SMILES

Cc1nc(N(CC2)CCN2S(c(cc2)ccc2Oc2ccccc2)(=O)=O)nc(N2CCN(C)CC2)c1

InChI

InChI=1S/C26H32N6O3S/c1-21-20-25(30-14-12-29(2)13-15-30)28-26(27-21)31-16-18-32(19-17-31)36(33,34)24-10-8-23(9-11-24)35-22-6-4-3-5-7-22/h3-11,20H,12-19H2,1-2H3

InChI Key

HKDXYQUFPHSLST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09238276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.652

Distribution Coefficient, logD

4.082

Water Solubility, LogSw

-4.52

Polar Surface Area

65.655

Acid Dissociation Constant (pKa)

20.87

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

G868-1522 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 G868-1522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G868-1522?
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What is the minimum amount of G868-1522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G868-1522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G868-1522
  • 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 G868-1522 available by request