V031-0803 Screening compound: 1-(4-fluorophenyl)-2-{4-[(trifluoromethyl)sulfanyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline

V031-0803 Screening compound: 1-(4-fluorophenyl)-2-{4-[(trifluoromethyl)sulfanyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline
V031-0803 Screening compound: 1-(4-fluorophenyl)-2-{4-[(trifluoromethyl)sulfanyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0803
1-(4-fluorophenyl)-2-{4-[(trifluoromethyl)sulfanyl]benzoyl}-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

V031-0803

Molecular Formula

C23H17F4NOS (C23 H17 F4 NOS)

Compound Name

1-(4-fluorophenyl)-2-{4-[(trifluoromethyl)sulfanyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

1-(4-fluorophenyl)-2-{4-[(trifluoromethyl)sulfanyl]benzoyl}-1234-tetrahydroisoquinoline

SMILES

O=C(c(cc1)ccc1SC(F)(F)F)N(CC1)C(c(cc2)ccc2F)c2c1cccc2

InChI

InChI=1S/C23H17F4NOS/c24-18-9-5-16(6-10-18)21-20-4-2-1-3-15(20)13-14-28(21)22(29)17-7-11-19(12-8-17)30-23(25,26)27/h1-12,21H,13-14H2/t21-/m0/s1

InChI Key

MGGGLFKWRDKNIR-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19957806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.929

Distribution Coefficient, logD

6.929

Water Solubility, LogSw

-6.24

Polar Surface Area

15.861

Acid Dissociation Constant (pKa)

20.92

Base Dissociation Constant (pKb)

-7.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with V031-0803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0803?
Check Price and Availability of V031-0803, 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 V031-0803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0803
  • 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 V031-0803 available by request