V030-5843 Screening compound: N-{2-[5-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide

V030-5843 Screening compound: N-{2-[5-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide
V030-5843 Screening compound: N-{2-[5-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5843
N-{2-[5-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide

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

V030-5843

Molecular Formula

C33H34ClF3N4O3 (C33 H34 ClF3 N4 O3)

Compound Name

N-{2-[5-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide

IUPAC name

N-{2-[5-(2-chlorophenyl)-3-(34-dimethylphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide

SMILES

Cc(cc1)c(C)cc1C(CC1c(cccc2)c2Cl)=NN1C(CN(CCN1CCOCC1)C(c1ccc(C(F)(F)F)cc1)=O)=O

InChI

InChI=1S/C33H34ClF3N4O3/c1-22-7-8-25(19-23(22)2)29-20-30(27-5-3-4-6-28(27)34)41(38-29)31(42)21-40(14-13-39-15-17-44-18-16-39)32(43)24-9-11-26(12-10-24)33(35,36)37/h3-12,19,30H,13-18,20-21H2,1-2H3/t30-/m0/s1

InChI Key

LWPPERRCVTWGNI-PMERELPUSA-N

MDL Number (MFCD)

MFCD19797626

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

627.11

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.219

Distribution Coefficient, logD

6.215

Water Solubility, LogSw

-6.15

Polar Surface Area

54.668

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

V030-5843 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Anticancer Library (62698 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V030-5843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5843?
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What is the minimum amount of V030-5843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5843
  • 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 V030-5843 available by request