V010-9347 Screening compound: 1-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-2-phenoxypropan-1-one

V010-9347 Screening compound: 1-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-2-phenoxypropan-1-one
V010-9347 Screening compound: 1-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-2-phenoxypropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9347
1-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-2-phenoxypropan-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

V010-9347

Molecular Formula

C27H26F3NO4 (C27 H26 F3 NO4)

Compound Name

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

IUPAC name

1-{67-dimethoxy-1-[3-(trifluoromethyl)phenyl]-1234-tetrahydroisoquinolin-2-yl}-2-phenoxypropan-1-one

SMILES

CC(C(N(CC1)C(c2cccc(C(F)(F)F)c2)c(cc2OC)c1cc2OC)=O)Oc1ccccc1

InChI

InChI=1S/C27H26F3NO4/c1-17(35-21-10-5-4-6-11-21)26(32)31-13-12-18-15-23(33-2)24(34-3)16-22(18)25(31)19-8-7-9-20(14-19)27(28,29)30/h4-11,14-17,25H,12-13H2,1-3H3

InChI Key

DJVKQSOEBRXEJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19957473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.345

Distribution Coefficient, logD

5.345

Water Solubility, LogSw

-5.48

Polar Surface Area

37.911

Acid Dissociation Constant (pKa)

22.03

Base Dissociation Constant (pKb)

-4.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.60

V010-9347 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V010-9347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9347?
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What is the minimum amount of V010-9347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9347
  • 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 V010-9347 available by request