V004-4796 Screening compound: 1-(4-methylphenyl)-2-{4-[(trifluoromethyl)sulfanyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline

V004-4796 Screening compound: 1-(4-methylphenyl)-2-{4-[(trifluoromethyl)sulfanyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline
V004-4796 Screening compound: 1-(4-methylphenyl)-2-{4-[(trifluoromethyl)sulfanyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-4796
1-(4-methylphenyl)-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

V004-4796

Molecular Formula

C24H20F3NOS (C24 H20 F3 NOS)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(c2c(CC3)cccc2)N3C(c(cc2)ccc2SC(F)(F)F)=O)cc1

InChI

InChI=1S/C24H20F3NOS/c1-16-6-8-18(9-7-16)22-21-5-3-2-4-17(21)14-15-28(22)23(29)19-10-12-20(13-11-19)30-24(25,26)27/h2-13,22H,14-15H2,1H3/t22-/m0/s1

InChI Key

MIVIZUWPTNFYRB-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19957795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.49

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

7.323

Distribution Coefficient, logD

7.323

Water Solubility, LogSw

-5.81

Polar Surface Area

15.861

Acid Dissociation Constant (pKa)

21.38

Base Dissociation Constant (pKb)

-6.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with V004-4796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-4796?
Check Price and Availability of V004-4796, 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 V004-4796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-4796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-4796
  • 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 V004-4796 available by request