C130-0364 Screening compound: 2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinoline

C130-0364 Screening compound: 2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinoline
C130-0364 Screening compound: 2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C130-0364
2-[4-(3,4-dimethoxyphenyl)-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

C130-0364

Molecular Formula

C22H20F3N3O2 (C22 H20 F3 N3 O2)

Compound Name

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

IUPAC name

2-[4-(34-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1234-tetrahydroisoquinoline

SMILES

COc(ccc(-c1cc(C(F)(F)F)nc(N(CC2)Cc3c2cccc3)n1)c1)c1OC

InChI

InChI=1S/C22H20F3N3O2/c1-29-18-8-7-15(11-19(18)30-2)17-12-20(22(23,24)25)27-21(26-17)28-10-9-14-5-3-4-6-16(14)13-28/h3-8,11-12H,9-10,13H2,1-2H3

InChI Key

NSGQSKNJUIUBSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.554

Distribution Coefficient, logD

5.553

Water Solubility, LogSw

-5.65

Polar Surface Area

35.840

Acid Dissociation Constant (pKa)

17.31

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C130-0364 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C130-0364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C130-0364?
Check Price and Availability of C130-0364, 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 C130-0364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C130-0364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C130-0364
  • 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 C130-0364 available by request