G868-0294 Screening compound: 2-ethyl-1-(4-{4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}piperazin-1-yl)butan-1-one

G868-0294 Screening compound: 2-ethyl-1-(4-{4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}piperazin-1-yl)butan-1-one
G868-0294 Screening compound: 2-ethyl-1-(4-{4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}piperazin-1-yl)butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G868-0294
2-ethyl-1-(4-{4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}piperazin-1-yl)butan-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

G868-0294

Molecular Formula

C22H31N5O2 (C22 H31 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCC(CC)C(N(CC1)CCN1c1nc(Nc(cc2)ccc2OC)cc(C)n1)=O

InChI

InChI=1S/C22H31N5O2/c1-5-17(6-2)21(28)26-11-13-27(14-12-26)22-23-16(3)15-20(25-22)24-18-7-9-19(29-4)10-8-18/h7-10,15,17H,5-6,11-14H2,1-4H3,(H,23,24,25)

InChI Key

ITJLAYKUTMXUNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08533983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.647

Distribution Coefficient, logD

4.071

Water Solubility, LogSw

-4.37

Polar Surface Area

54.746

Acid Dissociation Constant (pKa)

17.55

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G868-0294 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with G868-0294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G868-0294?
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What is the minimum amount of G868-0294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G868-0294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G868-0294
  • 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 G868-0294 available by request