G868-0109 Screening compound: 3-cyclohexyl-1-{4-[4-methyl-6-(phenylamino)pyrimidin-2-yl]piperazin-1-yl}propan-1-one

G868-0109 Screening compound: 3-cyclohexyl-1-{4-[4-methyl-6-(phenylamino)pyrimidin-2-yl]piperazin-1-yl}propan-1-one
G868-0109 Screening compound: 3-cyclohexyl-1-{4-[4-methyl-6-(phenylamino)pyrimidin-2-yl]piperazin-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G868-0109
3-cyclohexyl-1-{4-[4-methyl-6-(phenylamino)pyrimidin-2-yl]piperazin-1-yl}propan-1-one

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

G868-0109

Molecular Formula

C24H33N5O (C24 H33 N5 O)

Compound Name

3-cyclohexyl-1-{4-[4-methyl-6-(phenylamino)pyrimidin-2-yl]piperazin-1-yl}propan-1-one

IUPAC name

3-cyclohexyl-1-{4-[4-methyl-6-(phenylamino)pyrimidin-2-yl]piperazin-1-yl}propan-1-one

SMILES

Cc1nc(N(CC2)CCN2C(CCC2CCCCC2)=O)nc(Nc2ccccc2)c1

InChI

InChI=1S/C24H33N5O/c1-19-18-22(26-21-10-6-3-7-11-21)27-24(25-19)29-16-14-28(15-17-29)23(30)13-12-20-8-4-2-5-9-20/h3,6-7,10-11,18,20H,2,4-5,8-9,12-17H2,1H3,(H,25,26,27)

InChI Key

QWAZVCJYNBXUNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09237712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.181

Distribution Coefficient, logD

4.605

Water Solubility, LogSw

-5.10

Polar Surface Area

46.596

Acid Dissociation Constant (pKa)

17.88

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

G868-0109 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G868-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G868-0109?
Check Price and Availability of G868-0109, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G868-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G868-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G868-0109
  • 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 G868-0109 available by request