V011-4486 Screening compound: 1-(3,4-dichlorophenyl)-3-isopropyl-4-[1-(2-methoxyethyl)-2,5-dioxo-4-(1-pyridiniumyl)-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate

V011-4486 Screening compound: 1-(3,4-dichlorophenyl)-3-isopropyl-4-[1-(2-methoxyethyl)-2,5-dioxo-4-(1-pyridiniumyl)-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate
V011-4486 Screening compound: 1-(3,4-dichlorophenyl)-3-isopropyl-4-[1-(2-methoxyethyl)-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 V011-4486
1-(3,4-dichlorophenyl)-3-isopropyl-4-[1-(2-methoxyethyl)-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

V011-4486

Molecular Formula

C24H22Cl2N4O4 (C24 H22 Cl2 N4 O4)

Compound Name

1-(3,4-dichlorophenyl)-3-isopropyl-4-[1-(2-methoxyethyl)-2,5-dioxo-4-(1-pyridiniumyl)-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate

IUPAC name

1-{4-[1-(34-dichlorophenyl)-5-oxido-3-(propan-2-yl)-1H-pyrazol-4-yl]-1-(2-methoxyethyl)-25-dioxo-25-dihydro-1H-pyrrol-3-yl}-1lambda5-pyridin-1-ylium

SMILES

CC(C)c(c(C(C(N(CCOC)C1=O)=O)=C1[n+]1ccccc1)c1[O-])nn1-c(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C24H22Cl2N4O4/c1-14(2)20-18(23(32)30(27-20)15-7-8-16(25)17(26)13-15)19-21(28-9-5-4-6-10-28)24(33)29(22(19)31)11-12-34-3/h4-10,13-14H,11-12H2,1-3H3

InChI Key

YFRSAMURJIELGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19722006

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

501.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.838

Distribution Coefficient, logD

3.838

Water Solubility, LogSw

-3.96

Polar Surface Area

71.013

Acid Dissociation Constant (pKa)

26.08

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V011-4486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-4486?
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What is the minimum amount of V011-4486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-4486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-4486
  • 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 V011-4486 available by request