V011-4643 Screening compound: 3-ethyl-4-[1-(4-fluorobenzyl)-4-(3-methyl-1-pyridiniumyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-1H-pyrazol-5-olate

V011-4643 Screening compound: 3-ethyl-4-[1-(4-fluorobenzyl)-4-(3-methyl-1-pyridiniumyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-1H-pyrazol-5-olate
V011-4643 Screening compound: 3-ethyl-4-[1-(4-fluorobenzyl)-4-(3-methyl-1-pyridiniumyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1-(4-fluorophenyl)-1H-pyrazol-5-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-4643
3-ethyl-4-[1-(4-fluorobenzyl)-4-(3-methyl-1-pyridiniumyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-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

V011-4643

Molecular Formula

C28H22F2N4O3 (C28 H22 F2 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc(c(C(C(N(Cc(cc1)ccc1F)C1=O)=O)=C1[n+]1cc(C)ccc1)c1[O-])nn1-c(cc1)ccc1F

InChI

InChI=1S/C28H22F2N4O3/c1-3-22-23(27(36)34(31-22)21-12-10-20(30)11-13-21)24-25(32-14-4-5-17(2)15-32)28(37)33(26(24)35)16-18-6-8-19(29)9-7-18/h4-15H,3,16H2,1-2H3

InChI Key

RFRNBBWJXDJKLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19726672

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

500.5

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

4.208

Distribution Coefficient, logD

4.208

Water Solubility, LogSw

-4.08

Polar Surface Area

62.809

Acid Dissociation Constant (pKa)

25.36

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

References: we are preparing a list of scientific research reports with V011-4643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-4643?
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What is the minimum amount of V011-4643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-4643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-4643
  • 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 V011-4643 available by request