V023-3897 Screening compound: 1-[3-(2,5-dimethylphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

V023-3897 Screening compound: 1-[3-(2,5-dimethylphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
V023-3897 Screening compound: 1-[3-(2,5-dimethylphenyl)-5-(4-methylphenyl)-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 V023-3897
1-[3-(2,5-dimethylphenyl)-5-(4-methylphenyl)-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

V023-3897

Molecular Formula

C29H31N3O (C29 H31 N3 O)

Compound Name

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

IUPAC name

1-[3-(25-dimethylphenyl)-5-(4-methylphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-(1234-tetrahydroisoquinolin-2-yl)ethan-1-one

SMILES

Cc1ccc(C(C2)N(C(CN(CC3)Cc4c3cccc4)=O)N=C2c2c(C)ccc(C)c2)cc1

InChI

InChI=1S/C29H31N3O/c1-20-9-12-24(13-10-20)28-17-27(26-16-21(2)8-11-22(26)3)30-32(28)29(33)19-31-15-14-23-6-4-5-7-25(23)18-31/h4-13,16,28H,14-15,17-19H2,1-3H3/t28-/m0/s1

InChI Key

MTMRIEBEUCULMV-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD19886390

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

437.58

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

6.195

Distribution Coefficient, logD

6.185

Water Solubility, LogSw

-5.48

Polar Surface Area

30.253

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

V023-3897 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V023-3897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-3897?
Check Price and Availability of V023-3897, 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 V023-3897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-3897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-3897
  • 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 V023-3897 available by request