V013-4879 Screening compound: 2-(3-chlorobenzoyl)-6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline

V013-4879 Screening compound: 2-(3-chlorobenzoyl)-6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline
V013-4879 Screening compound: 2-(3-chlorobenzoyl)-6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-4879
2-(3-chlorobenzoyl)-6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-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

V013-4879

Molecular Formula

C25H21ClF3NO3 (C25 H21 ClF3 NO3)

Compound Name

2-(3-chlorobenzoyl)-6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-(3-chlorobenzoyl)-67-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1234-tetrahydroisoquinoline

SMILES

COc1cc(CCN(C2c3cc(C(F)(F)F)ccc3)C(c3cccc(Cl)c3)=O)c2cc1OC

InChI

InChI=1S/C25H21ClF3NO3/c1-32-21-13-15-9-10-30(24(31)17-6-4-8-19(26)12-17)23(20(15)14-22(21)33-2)16-5-3-7-18(11-16)25(27,28)29/h3-8,11-14,23H,9-10H2,1-2H3/t23-/m0/s1

InChI Key

ZNEARZKDWSYTOA-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19957504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.699

Distribution Coefficient, logD

5.699

Water Solubility, LogSw

-6.11

Polar Surface Area

31.122

Acid Dissociation Constant (pKa)

20.99

Base Dissociation Constant (pKb)

-6.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

V013-4879 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 V013-4879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-4879?
Check Price and Availability of V013-4879, 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 V013-4879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-4879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-4879
  • 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 V013-4879 available by request