C130-0223 Screening compound: 2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinoline

C130-0223 Screening compound: 2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinoline
C130-0223 Screening compound: 2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C130-0223
2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinoline

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

C130-0223

Molecular Formula

C21H18F3N3O (C21 H18 F3 N3 O)

Compound Name

2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1234-tetrahydroisoquinoline

SMILES

COc(cc1)ccc1-c1cc(C(F)(F)F)nc(N(CC2)Cc3c2cccc3)n1

InChI

InChI=1S/C21H18F3N3O/c1-28-17-8-6-15(7-9-17)18-12-19(21(22,23)24)26-20(25-18)27-11-10-14-4-2-3-5-16(14)13-27/h2-9,12H,10-11,13H2,1H3

InChI Key

AOVYZRBMSAUNRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.036

Distribution Coefficient, logD

6.036

Water Solubility, LogSw

-5.69

Polar Surface Area

28.123

Acid Dissociation Constant (pKa)

17.31

Base Dissociation Constant (pKb)

3.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C130-0223 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C130-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C130-0223?
Check Price and Availability of C130-0223, 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 C130-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C130-0223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C130-0223
  • 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 C130-0223 available by request