C130-0505 Screening compound: 2-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinoline

C130-0505 Screening compound: 2-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinoline
C130-0505 Screening compound: 2-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C130-0505
2-[4-(thiophen-2-yl)-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

C130-0505

Molecular Formula

C18H14F3N3S (C18 H14 F3 N3 S)

Compound Name

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

IUPAC name

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

SMILES

FC(c1cc(-c2cccs2)nc(N(CC2)Cc3c2cccc3)n1)(F)F

InChI

InChI=1S/C18H14F3N3S/c19-18(20,21)16-10-14(15-6-3-9-25-15)22-17(23-16)24-8-7-12-4-1-2-5-13(12)11-24/h1-6,9-10H,7-8,11H2

InChI Key

MPVTUEUUWFVWJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.698

Distribution Coefficient, logD

5.698

Water Solubility, LogSw

-6.16

Polar Surface Area

21.598

Acid Dissociation Constant (pKa)

17.31

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C130-0505 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C130-0505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C130-0505?
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What is the minimum amount of C130-0505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C130-0505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C130-0505
  • 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 C130-0505 available by request