V002-1279 Screening compound: 1-[5-(2,4-dimethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

V002-1279 Screening compound: 1-[5-(2,4-dimethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
V002-1279 Screening compound: 1-[5-(2,4-dimethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1279
1-[5-(2,4-dimethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-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

V002-1279

Molecular Formula

C28H28FN3O (C28 H28 FN3 O)

Compound Name

1-[5-(2,4-dimethylphenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

IUPAC name

1-[5-(24-dimethylphenyl)-3-(2-fluorophenyl)-45-dihydro-1H-pyrazol-1-yl]-2-(1234-tetrahydroisoquinolin-2-yl)ethan-1-one

SMILES

Cc1cc(C)c(C(C2)N(C(CN(CC3)Cc4c3cccc4)=O)N=C2c(cccc2)c2F)cc1

InChI

InChI=1S/C28H28FN3O/c1-19-11-12-23(20(2)15-19)27-16-26(24-9-5-6-10-25(24)29)30-32(27)28(33)18-31-14-13-21-7-3-4-8-22(21)17-31/h3-12,15,27H,13-14,16-18H2,1-2H3/t27-/m1/s1

InChI Key

LMLSEFUUNCKYMV-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD19887279

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.020

Distribution Coefficient, logD

6.010

Water Solubility, LogSw

-5.44

Polar Surface Area

30.253

Acid Dissociation Constant (pKa)

18.37

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

V002-1279 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V002-1279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1279?
Check Price and Availability of V002-1279, 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 V002-1279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1279
  • 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 V002-1279 available by request