V013-9350 Screening compound: 1-(3,4-dichlorophenyl)-4-[1-(2-methoxyethyl)-2,5-dioxo-4-(1-pyridiniumyl)-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate

V013-9350 Screening compound: 1-(3,4-dichlorophenyl)-4-[1-(2-methoxyethyl)-2,5-dioxo-4-(1-pyridiniumyl)-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate
V013-9350 Screening compound: 1-(3,4-dichlorophenyl)-4-[1-(2-methoxyethyl)-2,5-dioxo-4-(1-pyridiniumyl)-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-9350
1-(3,4-dichlorophenyl)-4-[1-(2-methoxyethyl)-2,5-dioxo-4-(1-pyridiniumyl)-2,5-dihydro-1H-pyrrol-3-yl]-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

V013-9350

Molecular Formula

C22H18Cl2N4O4 (C22 H18 Cl2 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H18Cl2N4O4/c1-13-17(21(30)28(25-13)14-6-7-15(23)16(24)12-14)18-19(26-8-4-3-5-9-26)22(31)27(20(18)29)10-11-32-2/h3-9,12H,10-11H2,1-2H3

InChI Key

BCURJHFJQLREIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19721874

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

473.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.280

Distribution Coefficient, logD

2.280

Water Solubility, LogSw

-2.82

Polar Surface Area

70.819

Acid Dissociation Constant (pKa)

27.06

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

References: we are preparing a list of scientific research reports with V013-9350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9350?
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What is the minimum amount of V013-9350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9350
  • 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 V013-9350 available by request