V010-9046 Screening compound: 1-(3,4-dichlorophenyl)-4-[4-(3,4-dimethyl-1-pyridiniumyl)-1-isopropyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1H-pyrazol-5-olate

V010-9046 Screening compound: 1-(3,4-dichlorophenyl)-4-[4-(3,4-dimethyl-1-pyridiniumyl)-1-isopropyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1H-pyrazol-5-olate
V010-9046 Screening compound: 1-(3,4-dichlorophenyl)-4-[4-(3,4-dimethyl-1-pyridiniumyl)-1-isopropyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1H-pyrazol-5-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9046
1-(3,4-dichlorophenyl)-4-[4-(3,4-dimethyl-1-pyridiniumyl)-1-isopropyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-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

V010-9046

Molecular Formula

C25H24Cl2N4O3 (C25 H24 Cl2 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H24Cl2N4O3/c1-6-19-20(24(33)31(28-19)16-7-8-17(26)18(27)11-16)21-22(25(34)30(13(2)3)23(21)32)29-10-9-14(4)15(5)12-29/h7-13H,6H2,1-5H3

InChI Key

FEALSTIBMCOMCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19722025

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

499.4

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

5.074

Distribution Coefficient, logD

5.074

Water Solubility, LogSw

-5.16

Polar Surface Area

62.801

Acid Dissociation Constant (pKa)

24.99

Base Dissociation Constant (pKb)

-7.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V010-9046 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V010-9046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9046?
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What is the minimum amount of V010-9046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9046
  • 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 V010-9046 available by request