V018-3921 Screening compound: 2-({2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)-decahydroisoquinoline

V018-3921 Screening compound: 2-({2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)-decahydroisoquinoline
V018-3921 Screening compound: 2-({2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)-decahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-3921
2-({2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)-decahydroisoquinoline

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

V018-3921

Molecular Formula

C20H23F3N2S (C20 H23 F3 N2 S)

Compound Name

2-({2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)-decahydroisoquinoline

IUPAC name

(4aS8aS)-2-({2-[4-(trifluoromethyl)phenyl]-13-thiazol-4-yl}methyl)-decahydroisoquinoline

SMILES

FC(c(cc1)ccc1-c1nc(CN2C[C@H](CCCC3)[C@H]3CC2)cs1)(F)F

InChI

InChI=1S/C20H23F3N2S/c21-20(22,23)17-7-5-15(6-8-17)19-24-18(13-26-19)12-25-10-9-14-3-1-2-4-16(14)11-25/h5-8,13-14,16H,1-4,9-12H2/t14-,16-/m0/s1

InChI Key

IXNCISDMXHZUQE-HOCLYGCPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

380.48

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.562

Distribution Coefficient, logD

5.531

Water Solubility, LogSw

-6.03

Polar Surface Area

14.054

Acid Dissociation Constant (pKa)

25.81

Base Dissociation Constant (pKb)

6.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.00

V018-3921 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V018-3921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-3921?
Check Price and Availability of V018-3921, 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 V018-3921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-3921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-3921
  • 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 V018-3921 available by request