C130-0360 Screening compound: 2-(4-benzylpiperazin-1-yl)-4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine

C130-0360 Screening compound: 2-(4-benzylpiperazin-1-yl)-4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine
C130-0360 Screening compound: 2-(4-benzylpiperazin-1-yl)-4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C130-0360
2-(4-benzylpiperazin-1-yl)-4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine

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

C130-0360

Molecular Formula

C24H25F3N4O2 (C24 H25 F3 N4 O2)

Compound Name

2-(4-benzylpiperazin-1-yl)-4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine

IUPAC name

2-(4-benzylpiperazin-1-yl)-4-(34-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine

SMILES

COc(ccc(-c1cc(C(F)(F)F)nc(N2CCN(Cc3ccccc3)CC2)n1)c1)c1OC

InChI

InChI=1S/C24H25F3N4O2/c1-32-20-9-8-18(14-21(20)33-2)19-15-22(24(25,26)27)29-23(28-19)31-12-10-30(11-13-31)16-17-6-4-3-5-7-17/h3-9,14-15H,10-13,16H2,1-2H3

InChI Key

NIWPGRIRBQXFLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.107

Distribution Coefficient, logD

4.999

Water Solubility, LogSw

-5.18

Polar Surface Area

39.719

Acid Dissociation Constant (pKa)

20.58

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C130-0360 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Human GPCR Annotated Library (5539 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Immune system
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C130-0360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C130-0360?
Check Price and Availability of C130-0360, 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 C130-0360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C130-0360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C130-0360
  • 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 C130-0360 available by request