V004-4782 Screening compound: 1-(4-fluorophenyl)-6,7-dimethoxy-2-{4-[(trifluoromethyl)sulfanyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline

V004-4782 Screening compound: 1-(4-fluorophenyl)-6,7-dimethoxy-2-{4-[(trifluoromethyl)sulfanyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline
V004-4782 Screening compound: 1-(4-fluorophenyl)-6,7-dimethoxy-2-{4-[(trifluoromethyl)sulfanyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-4782
1-(4-fluorophenyl)-6,7-dimethoxy-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

V004-4782

Molecular Formula

C25H21F4NO3S (C25 H21 F4 NO3 S)

Compound Name

1-(4-fluorophenyl)-6,7-dimethoxy-2-{4-[(trifluoromethyl)sulfanyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

1-(4-fluorophenyl)-67-dimethoxy-2-{4-[(trifluoromethyl)sulfanyl]benzoyl}-1234-tetrahydroisoquinoline

SMILES

COc1cc(CCN(C2c(cc3)ccc3F)C(c(cc3)ccc3SC(F)(F)F)=O)c2cc1OC

InChI

InChI=1S/C25H21F4NO3S/c1-32-21-13-17-11-12-30(24(31)16-5-9-19(10-6-16)34-25(27,28)29)23(20(17)14-22(21)33-2)15-3-7-18(26)8-4-15/h3-10,13-14,23H,11-12H2,1-2H3/t23-/m0/s1

InChI Key

HMEAIUIMIVJCTM-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19957587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.079

Distribution Coefficient, logD

6.079

Water Solubility, LogSw

-5.57

Polar Surface Area

31.122

Acid Dissociation Constant (pKa)

20.92

Base Dissociation Constant (pKb)

-6.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

V004-4782 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V004-4782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-4782?
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What is the minimum amount of V004-4782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-4782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-4782
  • 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 V004-4782 available by request