V014-4165 Screening compound: 1-(6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-{5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}ethan-1-one

V014-4165 Screening compound: 1-(6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-{5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}ethan-1-one
V014-4165 Screening compound: 1-(6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-{5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-4165
1-(6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-{5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}ethan-1-one

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

V014-4165

Molecular Formula

C30H27F3N2O4 (C30 H27 F3 N2 O4)

Compound Name

1-(6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-{5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}ethan-1-one

IUPAC name

1-(67-dimethoxy-1-phenyl-1234-tetrahydroisoquinolin-2-yl)-2-{5-methyl-2-[3-(trifluoromethyl)phenyl]-13-oxazol-4-yl}ethan-1-one

SMILES

Cc1c(CC(N(CC2)C(c3ccccc3)c(cc3OC)c2cc3OC)=O)nc(-c2cccc(C(F)(F)F)c2)o1

InChI

InChI=1S/C30H27F3N2O4/c1-18-24(34-29(39-18)21-10-7-11-22(14-21)30(31,32)33)17-27(36)35-13-12-20-15-25(37-2)26(38-3)16-23(20)28(35)19-8-5-4-6-9-19/h4-11,14-16,28H,12-13,17H2,1-3H3/t28-/m0/s1

InChI Key

VUQCIOSPEMEJJG-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD19958218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.575

Distribution Coefficient, logD

5.575

Water Solubility, LogSw

-5.63

Polar Surface Area

48.717

Acid Dissociation Constant (pKa)

20.31

Base Dissociation Constant (pKb)

-3.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

V014-4165 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 V014-4165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-4165?
Check Price and Availability of V014-4165, 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 V014-4165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-4165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-4165
  • 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 V014-4165 available by request