V009-2596 Screening compound: 3-[benzyl(methyl)amino]-1-(2-fluorophenyl)-4-[1-(4-fluorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2,5-dihydro-1H-pyrrole-2,5-dione

V009-2596 Screening compound: 3-[benzyl(methyl)amino]-1-(2-fluorophenyl)-4-[1-(4-fluorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2,5-dihydro-1H-pyrrole-2,5-dione
V009-2596 Screening compound: 3-[benzyl(methyl)amino]-1-(2-fluorophenyl)-4-[1-(4-fluorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2,5-dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-2596
3-[benzyl(methyl)amino]-1-(2-fluorophenyl)-4-[1-(4-fluorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-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

V009-2596

Molecular Formula

C28H22F2N4O3 (C28 H22 F2 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(C(C(N(C1=O)c(cccc2)c2F)=O)=C1N(C)Cc1ccccc1)c1O)nn1-c(cc1)ccc1F

InChI

InChI=1S/C28H22F2N4O3/c1-17-23(27(36)34(31-17)20-14-12-19(29)13-15-20)24-25(32(2)16-18-8-4-3-5-9-18)28(37)33(26(24)35)22-11-7-6-10-21(22)30/h3-15,36H,16H2,1-2H3

InChI Key

PLPHWNIQFPCAGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19802475

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

500.5

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

3.662

Distribution Coefficient, logD

1.632

Water Solubility, LogSw

-4.13

Polar Surface Area

61.301

Acid Dissociation Constant (pKa)

5.37

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

V009-2596 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 V009-2596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-2596?
Check Price and Availability of V009-2596, 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 V009-2596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-2596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-2596
  • 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 V009-2596 available by request