V011-5457 Screening compound: 3-[cyclohexyl(methyl)amino]-4-[1-(3,4-dichlorophenyl)-3-ethyl-5-hydroxy-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

V011-5457 Screening compound: 3-[cyclohexyl(methyl)amino]-4-[1-(3,4-dichlorophenyl)-3-ethyl-5-hydroxy-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
V011-5457 Screening compound: 3-[cyclohexyl(methyl)amino]-4-[1-(3,4-dichlorophenyl)-3-ethyl-5-hydroxy-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-5457
3-[cyclohexyl(methyl)amino]-4-[1-(3,4-dichlorophenyl)-3-ethyl-5-hydroxy-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-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

V011-5457

Molecular Formula

C28H27Cl2FN4O3 (C28 H27 Cl2 FN4 O3)

Compound Name

3-[cyclohexyl(methyl)amino]-4-[1-(3,4-dichlorophenyl)-3-ethyl-5-hydroxy-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

IUPAC name

3-[cyclohexyl(methyl)amino]-4-[1-(34-dichlorophenyl)-3-ethyl-5-hydroxy-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-25-dihydro-1H-pyrrole-25-dione

SMILES

CCc(c(C(C(N(C1=O)c(cccc2)c2F)=O)=C1N(C)C1CCCCC1)c1O)nn1-c(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C28H27Cl2FN4O3/c1-3-21-23(27(37)35(32-21)17-13-14-18(29)19(30)15-17)24-25(33(2)16-9-5-4-6-10-16)28(38)34(26(24)36)22-12-8-7-11-20(22)31/h7-8,11-16,37H,3-6,9-10H2,1-2H3

InChI Key

MFRLOVZKQNQTQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19803855

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

557.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.648

Distribution Coefficient, logD

4.036

Water Solubility, LogSw

-5.54

Polar Surface Area

61.042

Acid Dissociation Constant (pKa)

5.80

Base Dissociation Constant (pKb)

-9.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.14

V011-5457 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 V011-5457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-5457?
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What is the minimum amount of V011-5457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-5457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-5457
  • 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 V011-5457 available by request