V011-4450 Screening compound: 1-(4-chlorophenyl)-3-ethyl-4-[1-(3-methylphenyl)-2,5-dioxo-4-(1-pyridiniumyl)-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate

V011-4450 Screening compound: 1-(4-chlorophenyl)-3-ethyl-4-[1-(3-methylphenyl)-2,5-dioxo-4-(1-pyridiniumyl)-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate
V011-4450 Screening compound: 1-(4-chlorophenyl)-3-ethyl-4-[1-(3-methylphenyl)-2,5-dioxo-4-(1-pyridiniumyl)-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-4450
1-(4-chlorophenyl)-3-ethyl-4-[1-(3-methylphenyl)-2,5-dioxo-4-(1-pyridiniumyl)-2,5-dihydro-1H-pyrrol-3-yl]-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

V011-4450

Molecular Formula

C27H21ClN4O3 (C27 H21 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc(c(C(C(N(C1=O)c2cc(C)ccc2)=O)=C1[n+]1ccccc1)c1[O-])nn1-c(cc1)ccc1Cl

InChI

InChI=1S/C27H21ClN4O3/c1-3-21-22(26(34)32(29-21)19-12-10-18(28)11-13-19)23-24(30-14-5-4-6-15-30)27(35)31(25(23)33)20-9-7-8-17(2)16-20/h4-16H,3H2,1-2H3

InChI Key

GXMFITSFHBCONM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19722133

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

484.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.067

Distribution Coefficient, logD

4.067

Water Solubility, LogSw

-4.37

Polar Surface Area

62.304

Acid Dissociation Constant (pKa)

28.44

Base Dissociation Constant (pKb)

-11.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with V011-4450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-4450?
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What is the minimum amount of V011-4450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-4450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-4450
  • 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 V011-4450 available by request