G868-0258 Screening compound: 1-(4-{4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl}piperazin-1-yl)-4-phenylbutan-1-one

G868-0258 Screening compound: 1-(4-{4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl}piperazin-1-yl)-4-phenylbutan-1-one
G868-0258 Screening compound: 1-(4-{4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl}piperazin-1-yl)-4-phenylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G868-0258
1-(4-{4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl}piperazin-1-yl)-4-phenylbutan-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

G868-0258

Molecular Formula

C26H31N5O (C26 H31 N5 O)

Compound Name

1-(4-{4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl}piperazin-1-yl)-4-phenylbutan-1-one

IUPAC name

1-(4-{4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl}piperazin-1-yl)-4-phenylbutan-1-one

SMILES

Cc(cc1)ccc1Nc1cc(C)nc(N(CC2)CCN2C(CCCc2ccccc2)=O)n1

InChI

InChI=1S/C26H31N5O/c1-20-11-13-23(14-12-20)28-24-19-21(2)27-26(29-24)31-17-15-30(16-18-31)25(32)10-6-9-22-7-4-3-5-8-22/h3-5,7-8,11-14,19H,6,9-10,15-18H2,1-2H3,(H,27,28,29)

InChI Key

LQTMQHCDAGYYSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09237769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.704

Distribution Coefficient, logD

5.129

Water Solubility, LogSw

-5.37

Polar Surface Area

46.404

Acid Dissociation Constant (pKa)

17.76

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

G868-0258 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G868-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G868-0258?
Check Price and Availability of G868-0258, 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 G868-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G868-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G868-0258
  • 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 G868-0258 available by request