V026-9119 Screening compound: 2-[1-(2H-1,3-benzodioxole-5-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

V026-9119 Screening compound: 2-[1-(2H-1,3-benzodioxole-5-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline
V026-9119 Screening compound: 2-[1-(2H-1,3-benzodioxole-5-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-9119
2-[1-(2H-1,3-benzodioxole-5-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]-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

V026-9119

Molecular Formula

C29H25F3N2O4 (C29 H25 F3 N2 O4)

Compound Name

2-[1-(2H-1,3-benzodioxole-5-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[1-(2H-13-benzodioxole-5-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]-1234-tetrahydroisoquinoline

SMILES

O=C(C(CN(C1)C(c(cc2)cc3c2OCO3)=O)C1c1cccc(C(F)(F)F)c1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C29H25F3N2O4/c30-29(31,32)22-7-3-6-19(12-22)23-15-34(27(35)20-8-9-25-26(13-20)38-17-37-25)16-24(23)28(36)33-11-10-18-4-1-2-5-21(18)14-33/h1-9,12-13,23-24H,10-11,14-17H2

InChI Key

OIKUGGXGEMBGFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14262580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.916

Distribution Coefficient, logD

4.916

Water Solubility, LogSw

-4.91

Polar Surface Area

50.274

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.00

V026-9119 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Anti-HIV1 Library (19540 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V026-9119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-9119?
Check Price and Availability of V026-9119, 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 V026-9119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-9119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-9119
  • 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 V026-9119 available by request