G868-1383 Screening compound: 2-{4-[(3-chlorophenyl)sulfonyl]piperazino}-4-methyl-6-piperidinopyrimidine

G868-1383 Screening compound: 2-{4-[(3-chlorophenyl)sulfonyl]piperazino}-4-methyl-6-piperidinopyrimidine
G868-1383 Screening compound: 2-{4-[(3-chlorophenyl)sulfonyl]piperazino}-4-methyl-6-piperidinopyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound G868-1383
2-{4-[(3-chlorophenyl)sulfonyl]piperazino}-4-methyl-6-piperidinopyrimidine

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

G868-1383

Molecular Formula

C20H26ClN5O2S (C20 H26 ClN5 O2 S)

Compound Name

2-{4-[(3-chlorophenyl)sulfonyl]piperazino}-4-methyl-6-piperidinopyrimidine

IUPAC name

2-[4-(3-chlorobenzenesulfonyl)piperazin-1-yl]-4-methyl-6-(piperidin-1-yl)pyrimidine

SMILES

Cc1nc(N(CC2)CCN2S(c2cccc(Cl)c2)(=O)=O)nc(N2CCCCC2)c1

InChI

InChI=1S/C20H26ClN5O2S/c1-16-14-19(24-8-3-2-4-9-24)23-20(22-16)25-10-12-26(13-11-25)29(27,28)18-7-5-6-17(21)15-18/h5-7,14-15H,2-4,8-13H2,1H3

InChI Key

NXAMOAQDZOWJIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08534100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.98

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

4.738

Distribution Coefficient, logD

4.663

Water Solubility, LogSw

-4.78

Polar Surface Area

55.430

Acid Dissociation Constant (pKa)

20.87

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G868-1383 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G868-1383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G868-1383?
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What is the minimum amount of G868-1383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G868-1383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G868-1383
  • 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 G868-1383 available by request