V001-3639 Screening compound: 1-[(4-fluorophenyl)methyl]-3-[5-hydroxy-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-(3-methyl-1H-indol-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

V001-3639 Screening compound: 1-[(4-fluorophenyl)methyl]-3-[5-hydroxy-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-(3-methyl-1H-indol-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
V001-3639 Screening compound: 1-[(4-fluorophenyl)methyl]-3-[5-hydroxy-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-(3-methyl-1H-indol-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-3639
1-[(4-fluorophenyl)methyl]-3-[5-hydroxy-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-(3-methyl-1H-indol-2-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

V001-3639

Molecular Formula

C30H20F4N4O3 (C30 H20 F4 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(C(N2Cc(cc3)ccc3F)=O)=C(c(c(C(F)(F)F)nn3-c4ccccc4)c3O)C2=O)[nH]c2c1cccc2

InChI

InChI=1S/C30H20F4N4O3/c1-16-20-9-5-6-10-21(20)35-25(16)23-22(27(39)37(28(23)40)15-17-11-13-18(31)14-12-17)24-26(30(32,33)34)36-38(29(24)41)19-7-3-2-4-8-19/h2-14,35,41H,15H2,1H3

InChI Key

WZUVRJBUOCESHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19972401

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

560.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.977

Distribution Coefficient, logD

2.006

Water Solubility, LogSw

-4.61

Polar Surface Area

69.383

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

V001-3639 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with V001-3639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-3639?
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What is the minimum amount of V001-3639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-3639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-3639
  • 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 V001-3639 available by request