G868-1368 Screening compound: 2-[4-(4-ethoxy-3,5-dimethylbenzenesulfonyl)piperazin-1-yl]-4-methyl-6-(piperidin-1-yl)pyrimidine

G868-1368 Screening compound: 2-[4-(4-ethoxy-3,5-dimethylbenzenesulfonyl)piperazin-1-yl]-4-methyl-6-(piperidin-1-yl)pyrimidine
G868-1368 Screening compound: 2-[4-(4-ethoxy-3,5-dimethylbenzenesulfonyl)piperazin-1-yl]-4-methyl-6-(piperidin-1-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound G868-1368
2-[4-(4-ethoxy-3,5-dimethylbenzenesulfonyl)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

G868-1368

Molecular Formula

C24H35N5O3S (C24 H35 N5 O3 S)

Compound Name

2-[4-(4-ethoxy-3,5-dimethylbenzenesulfonyl)piperazin-1-yl]-4-methyl-6-(piperidin-1-yl)pyrimidine

IUPAC name

2-[4-(4-ethoxy-35-dimethylbenzenesulfonyl)piperazin-1-yl]-4-methyl-6-(piperidin-1-yl)pyrimidine

SMILES

CCOc(c(C)c1)c(C)cc1S(N(CC1)CCN1c1nc(N2CCCCC2)cc(C)n1)(=O)=O

InChI

InChI=1S/C24H35N5O3S/c1-5-32-23-18(2)15-21(16-19(23)3)33(30,31)29-13-11-28(12-14-29)24-25-20(4)17-22(26-24)27-9-7-6-8-10-27/h15-17H,5-14H2,1-4H3

InChI Key

UBEAKEFWARPFJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09238208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.299

Distribution Coefficient, logD

5.224

Water Solubility, LogSw

-5.17

Polar Surface Area

62.727

Acid Dissociation Constant (pKa)

20.87

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

G868-1368 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 G868-1368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G868-1368?
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What is the minimum amount of G868-1368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G868-1368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G868-1368
  • 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 G868-1368 available by request