G868-0981 Screening compound: N-(2,5-dimethylphenyl)-4-{4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}piperazine-1-carboxamide

G868-0981 Screening compound: N-(2,5-dimethylphenyl)-4-{4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}piperazine-1-carboxamide
G868-0981 Screening compound: N-(2,5-dimethylphenyl)-4-{4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G868-0981
N-(2,5-dimethylphenyl)-4-{4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}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

G868-0981

Molecular Formula

C25H30N6O2 (C25 H30 N6 O2)

Compound Name

N-(2,5-dimethylphenyl)-4-{4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}piperazine-1-carboxamide

IUPAC name

N-(25-dimethylphenyl)-4-{4-[(4-methoxyphenyl)amino]-6-methylpyrimidin-2-yl}piperazine-1-carboxamide

SMILES

Cc1cc(NC(N(CC2)CCN2c2nc(Nc(cc3)ccc3OC)cc(C)n2)=O)c(C)cc1

InChI

InChI=1S/C25H30N6O2/c1-17-5-6-18(2)22(15-17)28-25(32)31-13-11-30(12-14-31)24-26-19(3)16-23(29-24)27-20-7-9-21(33-4)10-8-20/h5-10,15-16H,11-14H2,1-4H3,(H,28,32)(H,26,27,29)

InChI Key

DECOMUFPEHRNRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15072493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.892

Distribution Coefficient, logD

4.316

Water Solubility, LogSw

-4.60

Polar Surface Area

62.598

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

G868-0981 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G868-0981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G868-0981?
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What is the minimum amount of G868-0981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G868-0981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G868-0981
  • 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 G868-0981 available by request