G868-0970 Screening compound: 4-{4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl}-N-(3-methylphenyl)piperazine-1-carboxamide

G868-0970 Screening compound: 4-{4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl}-N-(3-methylphenyl)piperazine-1-carboxamide
G868-0970 Screening compound: 4-{4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl}-N-(3-methylphenyl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G868-0970
4-{4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl}-N-(3-methylphenyl)piperazine-1-carboxamide

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

G868-0970

Molecular Formula

C24H28N6O (C24 H28 N6 O)

Compound Name

4-{4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl}-N-(3-methylphenyl)piperazine-1-carboxamide

IUPAC name

4-{4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl}-N-(3-methylphenyl)piperazine-1-carboxamide

SMILES

Cc(cc1)ccc1Nc1cc(C)nc(N(CC2)CCN2C(Nc2cc(C)ccc2)=O)n1

InChI

InChI=1S/C24H28N6O/c1-17-7-9-20(10-8-17)26-22-16-19(3)25-23(28-22)29-11-13-30(14-12-29)24(31)27-21-6-4-5-18(2)15-21/h4-10,15-16H,11-14H2,1-3H3,(H,27,31)(H,25,26,28)

InChI Key

NVHATXVGGQRHIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11986133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.255

Distribution Coefficient, logD

4.680

Water Solubility, LogSw

-5.02

Polar Surface Area

55.752

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

G868-0970 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G868-0970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G868-0970?
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What is the minimum amount of G868-0970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G868-0970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G868-0970
  • 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 G868-0970 available by request