V021-9794 Screening compound: 1-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[benzyl(methyl)amino]ethan-1-one

V021-9794 Screening compound: 1-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[benzyl(methyl)amino]ethan-1-one
V021-9794 Screening compound: 1-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[benzyl(methyl)amino]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-9794
1-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[benzyl(methyl)amino]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

V021-9794

Molecular Formula

C26H24ClN3O3 (C26 H24 ClN3 O3)

Compound Name

1-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[benzyl(methyl)amino]ethan-1-one

IUPAC name

1-[5-(2H-13-benzodioxol-5-yl)-3-(2-chlorophenyl)-45-dihydro-1H-pyrazol-1-yl]-2-[benzyl(methyl)amino]ethan-1-one

SMILES

CN(CC(N(C(C1)c(cc2)cc3c2OCO3)N=C1c(cccc1)c1Cl)=O)Cc1ccccc1

InChI

InChI=1S/C26H24ClN3O3/c1-29(15-18-7-3-2-4-8-18)16-26(31)30-23(19-11-12-24-25(13-19)33-17-32-24)14-22(28-30)20-9-5-6-10-21(20)27/h2-13,23H,14-17H2,1H3/t23-/m1/s1

InChI Key

ONDGBADYYIOSDE-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19885755

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

461.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.082

Distribution Coefficient, logD

5.061

Water Solubility, LogSw

-5.26

Polar Surface Area

47.818

Acid Dissociation Constant (pKa)

18.73

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

V021-9794 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V021-9794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-9794?
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What is the minimum amount of V021-9794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-9794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-9794
  • 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 V021-9794 available by request