G868-0290 Screening compound: 1-(4-{4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}piperazin-1-yl)pentan-1-one

G868-0290 Screening compound: 1-(4-{4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}piperazin-1-yl)pentan-1-one
G868-0290 Screening compound: 1-(4-{4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}piperazin-1-yl)pentan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G868-0290
1-(4-{4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}piperazin-1-yl)pentan-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

G868-0290

Molecular Formula

C21H29N5O2 (C21 H29 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H29N5O2/c1-4-5-6-20(27)25-11-13-26(14-12-25)21-22-16(2)15-19(24-21)23-17-7-9-18(28-3)10-8-17/h7-10,15H,4-6,11-14H2,1-3H3,(H,22,23,24)

InChI Key

WCLVFEZALKJFAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08533980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

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

4.107

Distribution Coefficient, logD

3.532

Water Solubility, LogSw

-4.07

Polar Surface Area

54.219

Acid Dissociation Constant (pKa)

17.55

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

G868-0290 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 G868-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G868-0290?
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What is the minimum amount of G868-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G868-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G868-0290
  • 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 G868-0290 available by request