V009-8825 Screening compound: 3-[1-(4-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]-4-(7-ethyl-1H-indol-3-yl)-1-[(4-fluorophenyl)methyl]-2,5-dihydro-1H-pyrrole-2,5-dione

V009-8825 Screening compound: 3-[1-(4-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]-4-(7-ethyl-1H-indol-3-yl)-1-[(4-fluorophenyl)methyl]-2,5-dihydro-1H-pyrrole-2,5-dione
V009-8825 Screening compound: 3-[1-(4-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]-4-(7-ethyl-1H-indol-3-yl)-1-[(4-fluorophenyl)methyl]-2,5-dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-8825
3-[1-(4-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]-4-(7-ethyl-1H-indol-3-yl)-1-[(4-fluorophenyl)methyl]-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

V009-8825

Molecular Formula

C31H24ClFN4O3 (C31 H24 ClFN4 O3)

Compound Name

3-[1-(4-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]-4-(7-ethyl-1H-indol-3-yl)-1-[(4-fluorophenyl)methyl]-2,5-dihydro-1H-pyrrole-2,5-dione

IUPAC name

3-[1-(4-chlorophenyl)-3-methyl-5-oxo-45-dihydro-1H-pyrazol-4-yl]-4-(7-ethyl-1H-indol-3-yl)-1-[(4-fluorophenyl)methyl]-25-dihydro-1H-pyrrole-25-dione

SMILES

CCc1cccc2c1[nH]cc2C(C(N1Cc(cc2)ccc2F)=O)=C(C(C(C)=NN2c(cc3)ccc3Cl)C2=O)C1=O

InChI

InChI=1S/C31H24ClFN4O3/c1-3-19-5-4-6-23-24(15-34-28(19)23)26-27(30(39)36(29(26)38)16-18-7-11-21(33)12-8-18)25-17(2)35-37(31(25)40)22-13-9-20(32)10-14-22/h4-15,25,34H,3,16H2,1-2H3/t25-/m1/s1

InChI Key

POGCSOACISISAN-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19971636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.771

Distribution Coefficient, logD

5.771

Water Solubility, LogSw

-5.98

Polar Surface Area

65.481

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.10

V009-8825 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V009-8825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-8825?
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What is the minimum amount of V009-8825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-8825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-8825
  • 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 V009-8825 available by request