V009-9945 Screening compound: 6,7-dimethoxy-2-(2-methylbenzoyl)-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline

V009-9945 Screening compound: 6,7-dimethoxy-2-(2-methylbenzoyl)-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline
V009-9945 Screening compound: 6,7-dimethoxy-2-(2-methylbenzoyl)-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-9945
6,7-dimethoxy-2-(2-methylbenzoyl)-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

V009-9945

Molecular Formula

C26H24F3NO3 (C26 H24 F3 NO3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1C(N(CC1)C(c2cccc(C(F)(F)F)c2)c(cc2OC)c1cc2OC)=O

InChI

InChI=1S/C26H24F3NO3/c1-16-7-4-5-10-20(16)25(31)30-12-11-17-14-22(32-2)23(33-3)15-21(17)24(30)18-8-6-9-19(13-18)26(27,28)29/h4-10,13-15,24H,11-12H2,1-3H3/t24-/m0/s1

InChI Key

QRDWHUFTARVLEX-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19957455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.48

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

5.424

Distribution Coefficient, logD

5.424

Water Solubility, LogSw

-5.59

Polar Surface Area

31.122

Acid Dissociation Constant (pKa)

21.38

Base Dissociation Constant (pKb)

-5.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with V009-9945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-9945?
Check Price and Availability of V009-9945, 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 V009-9945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-9945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-9945
  • 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 V009-9945 available by request