V012-7575 Screening compound: 6,7-dimethoxy-2-(4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzoyl)-1,2,3,4-tetrahydroisoquinoline

V012-7575 Screening compound: 6,7-dimethoxy-2-(4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzoyl)-1,2,3,4-tetrahydroisoquinoline
V012-7575 Screening compound: 6,7-dimethoxy-2-(4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzoyl)-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-7575
6,7-dimethoxy-2-(4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}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

V012-7575

Molecular Formula

C28H24F3N3O3 (C28 H24 F3 N3 O3)

Compound Name

6,7-dimethoxy-2-(4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzoyl)-1,2,3,4-tetrahydroisoquinoline

IUPAC name

67-dimethoxy-2-(4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}benzoyl)-1234-tetrahydroisoquinoline

SMILES

COc1cc(CCN(C2)C(c(cc3)ccc3-c3cc(-c4cccc(C(F)(F)F)c4)n[nH]3)=O)c2cc1OC

InChI

InChI=1S/C28H24F3N3O3/c1-36-25-13-19-10-11-34(16-21(19)14-26(25)37-2)27(35)18-8-6-17(7-9-18)23-15-24(33-32-23)20-4-3-5-22(12-20)28(29,30)31/h3-9,12-15H,10-11,16H2,1-2H3,(H,32,33)

InChI Key

SJHRRAYMUCXGRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19953901

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

507.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.473

Distribution Coefficient, logD

5.473

Water Solubility, LogSw

-5.67

Polar Surface Area

54.028

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

V012-7575 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V012-7575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-7575?
Check Price and Availability of V012-7575, 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 V012-7575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-7575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-7575
  • 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 V012-7575 available by request