V011-4451 Screening compound: 3-[1-(4-chlorophenyl)-5-hydroxy-3-(propan-2-yl)-1H-pyrazol-4-yl]-1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

V011-4451 Screening compound: 3-[1-(4-chlorophenyl)-5-hydroxy-3-(propan-2-yl)-1H-pyrazol-4-yl]-1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
V011-4451 Screening compound: 3-[1-(4-chlorophenyl)-5-hydroxy-3-(propan-2-yl)-1H-pyrazol-4-yl]-1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-4451
3-[1-(4-chlorophenyl)-5-hydroxy-3-(propan-2-yl)-1H-pyrazol-4-yl]-1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

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

V011-4451

Molecular Formula

C28H30ClN5O4 (C28 H30 ClN5 O4)

Compound Name

3-[1-(4-chlorophenyl)-5-hydroxy-3-(propan-2-yl)-1H-pyrazol-4-yl]-1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

IUPAC name

3-[1-(4-chlorophenyl)-5-hydroxy-3-(propan-2-yl)-1H-pyrazol-4-yl]-1-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-25-dihydro-1H-pyrrole-25-dione

SMILES

CC(C)c(c(C(C(N(C1=O)c(cc2)ccc2OC)=O)=C1N1CCN(C)CC1)c1O)nn1-c(cc1)ccc1Cl

InChI

InChI=1S/C28H30ClN5O4/c1-17(2)24-22(27(36)34(30-24)20-7-5-18(29)6-8-20)23-25(32-15-13-31(3)14-16-32)28(37)33(26(23)35)19-9-11-21(38-4)12-10-19/h5-12,17,36H,13-16H2,1-4H3

InChI Key

IXYXVAHJYULOHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19808575

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

536.03

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.828

Distribution Coefficient, logD

2.350

Water Solubility, LogSw

-4.45

Polar Surface Area

73.314

Acid Dissociation Constant (pKa)

5.71

Base Dissociation Constant (pKb)

6.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

V011-4451 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V011-4451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-4451?
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What is the minimum amount of V011-4451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-4451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-4451
  • 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 V011-4451 available by request