G868-0591 Screening compound: 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-4-methyl-6-(piperidin-1-yl)pyrimidine

G868-0591 Screening compound: 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-4-methyl-6-(piperidin-1-yl)pyrimidine
G868-0591 Screening compound: 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-4-methyl-6-(piperidin-1-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound G868-0591
2-[4-(4-tert-butylbenzoyl)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

G868-0591

Molecular Formula

C25H35N5O (C25 H35 N5 O)

Compound Name

2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-4-methyl-6-(piperidin-1-yl)pyrimidine

IUPAC name

2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-4-methyl-6-(piperidin-1-yl)pyrimidine

SMILES

CC(C)(C)c(cc1)ccc1C(N(CC1)CCN1c1nc(N2CCCCC2)cc(C)n1)=O

InChI

InChI=1S/C25H35N5O/c1-19-18-22(28-12-6-5-7-13-28)27-24(26-19)30-16-14-29(15-17-30)23(31)20-8-10-21(11-9-20)25(2,3)4/h8-11,18H,5-7,12-17H2,1-4H3

InChI Key

HZQGUANHNWNJCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09237895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.667

Distribution Coefficient, logD

5.639

Water Solubility, LogSw

-5.34

Polar Surface Area

40.368

Acid Dissociation Constant (pKa)

21.00

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

G868-0591 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

CNS BBB Library (22607 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with G868-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G868-0591?
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What is the minimum amount of G868-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G868-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G868-0591
  • 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 G868-0591 available by request