V005-8362 Screening compound: 4-[4-(3,4-dimethyl-1-pyridiniumyl)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-olate

V005-8362 Screening compound: 4-[4-(3,4-dimethyl-1-pyridiniumyl)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-olate
V005-8362 Screening compound: 4-[4-(3,4-dimethyl-1-pyridiniumyl)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-8362
4-[4-(3,4-dimethyl-1-pyridiniumyl)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-olate

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

V005-8362

Molecular Formula

C27H20F2N4O3 (C27 H20 F2 N4 O3)

Compound Name

4-[4-(3,4-dimethyl-1-pyridiniumyl)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-olate

IUPAC name

1-[1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-3-methyl-5-oxido-1H-pyrazol-4-yl]-25-dioxo-25-dihydro-1H-pyrrol-3-yl]-34-dimethyl-1lambda5-pyridin-1-ylium

SMILES

Cc(c(C(C(N(C1=O)c(cc2)ccc2F)=O)=C1[n+]1cc(C)c(C)cc1)c1[O-])nn1-c(cc1)ccc1F

InChI

InChI=1S/C27H20F2N4O3/c1-15-12-13-31(14-16(15)2)24-23(25(34)32(27(24)36)20-8-4-18(28)5-9-20)22-17(3)30-33(26(22)35)21-10-6-19(29)7-11-21/h4-14H,1-3H3

InChI Key

LSZOARMIQRWWKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19726684

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

486.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.554

Distribution Coefficient, logD

3.554

Water Solubility, LogSw

-3.61

Polar Surface Area

61.508

Acid Dissociation Constant (pKa)

28.50

Base Dissociation Constant (pKb)

-11.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

V005-8362 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V005-8362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-8362?
Check Price and Availability of V005-8362, 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 V005-8362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-8362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-8362
  • 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 V005-8362 available by request