G868-0347 Screening compound: 1-(4-{4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}piperazin-1-yl)-2-phenoxyethan-1-one

G868-0347 Screening compound: 1-(4-{4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}piperazin-1-yl)-2-phenoxyethan-1-one
G868-0347 Screening compound: 1-(4-{4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}piperazin-1-yl)-2-phenoxyethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G868-0347
1-(4-{4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}piperazin-1-yl)-2-phenoxyethan-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

G868-0347

Molecular Formula

C24H27N5O3 (C24 H27 N5 O3)

Compound Name

1-(4-{4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}piperazin-1-yl)-2-phenoxyethan-1-one

IUPAC name

1-(4-{4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}piperazin-1-yl)-2-phenoxyethan-1-one

SMILES

Cc1nc(N(CC2)CCN2C(COc2ccccc2)=O)nc(Nc(cc2)ccc2OC)c1

InChI

InChI=1S/C24H27N5O3/c1-18-16-22(26-19-8-10-20(31-2)11-9-19)27-24(25-18)29-14-12-28(13-15-29)23(30)17-32-21-6-4-3-5-7-21/h3-11,16H,12-15,17H2,1-2H3,(H,25,26,27)

InChI Key

CTXKXDSNUFNYKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08533988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.847

Distribution Coefficient, logD

3.271

Water Solubility, LogSw

-3.99

Polar Surface Area

61.447

Acid Dissociation Constant (pKa)

17.55

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

G868-0347 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G868-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G868-0347?
Check Price and Availability of G868-0347, 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 G868-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G868-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G868-0347
  • 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 G868-0347 available by request