V026-0647 Screening compound: 4-[4-(3,5-dimethyl-1-pyridiniumyl)-1-isobutyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1-(4-fluorophenyl)-1H-pyrazol-5-olate

V026-0647 Screening compound: 4-[4-(3,5-dimethyl-1-pyridiniumyl)-1-isobutyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1-(4-fluorophenyl)-1H-pyrazol-5-olate
V026-0647 Screening compound: 4-[4-(3,5-dimethyl-1-pyridiniumyl)-1-isobutyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1-(4-fluorophenyl)-1H-pyrazol-5-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-0647
4-[4-(3,5-dimethyl-1-pyridiniumyl)-1-isobutyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1-(4-fluorophenyl)-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

V026-0647

Molecular Formula

C26H27FN4O3 (C26 H27 FN4 O3)

Compound Name

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

IUPAC name

1-{4-[3-ethyl-1-(4-fluorophenyl)-5-oxido-1H-pyrazol-4-yl]-1-(2-methylpropyl)-25-dioxo-25-dihydro-1H-pyrrol-3-yl}-35-dimethyl-1lambda5-pyridin-1-ylium

SMILES

CCc(c(C(C(N(CC(C)C)C1=O)=O)=C1[n+]1cc(C)cc(C)c1)c1[O-])nn1-c(cc1)ccc1F

InChI

InChI=1S/C26H27FN4O3/c1-6-20-21(25(33)31(28-20)19-9-7-18(27)8-10-19)22-23(29-13-16(4)11-17(5)14-29)26(34)30(24(22)32)12-15(2)3/h7-11,13-15H,6,12H2,1-5H3

InChI Key

JROYDQBOEVXVDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19722092

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

462.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.455

Distribution Coefficient, logD

4.455

Water Solubility, LogSw

-4.20

Polar Surface Area

62.973

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with V026-0647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-0647?
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What is the minimum amount of V026-0647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-0647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-0647
  • 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 V026-0647 available by request