V009-0728 Screening compound: 1-(3-chlorophenyl)-3-ethyl-4-[1-(2-methoxyethyl)-4-(3-methyl-1-pyridiniumyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate

V009-0728 Screening compound: 1-(3-chlorophenyl)-3-ethyl-4-[1-(2-methoxyethyl)-4-(3-methyl-1-pyridiniumyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate
V009-0728 Screening compound: 1-(3-chlorophenyl)-3-ethyl-4-[1-(2-methoxyethyl)-4-(3-methyl-1-pyridiniumyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-0728
1-(3-chlorophenyl)-3-ethyl-4-[1-(2-methoxyethyl)-4-(3-methyl-1-pyridiniumyl)-2,5-dioxo-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

V009-0728

Molecular Formula

C24H23ClN4O4 (C24 H23 ClN4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCc(c(C(C(N(CCOC)C1=O)=O)=C1[n+]1cc(C)ccc1)c1[O-])nn1-c1cccc(Cl)c1

InChI

InChI=1S/C24H23ClN4O4/c1-4-18-19(23(31)29(26-18)17-9-5-8-16(25)13-17)20-21(27-10-6-7-15(2)14-27)24(32)28(22(20)30)11-12-33-3/h5-10,13-14H,4,11-12H2,1-3H3

InChI Key

VVAWTKSTFNBHCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19722078

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

466.92

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

3.003

Distribution Coefficient, logD

3.003

Water Solubility, LogSw

-3.21

Polar Surface Area

71.401

Acid Dissociation Constant (pKa)

27.06

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V009-0728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-0728?
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What is the minimum amount of V009-0728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-0728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-0728
  • 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 V009-0728 available by request