V013-9290 Screening compound: 1-(4-chlorophenyl)-3-ethyl-4-[4-(3-methyl-1-pyridiniumyl)-2,5-dioxo-1-propyl-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate

V013-9290 Screening compound: 1-(4-chlorophenyl)-3-ethyl-4-[4-(3-methyl-1-pyridiniumyl)-2,5-dioxo-1-propyl-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate
V013-9290 Screening compound: 1-(4-chlorophenyl)-3-ethyl-4-[4-(3-methyl-1-pyridiniumyl)-2,5-dioxo-1-propyl-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-9290
1-(4-chlorophenyl)-3-ethyl-4-[4-(3-methyl-1-pyridiniumyl)-2,5-dioxo-1-propyl-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

V013-9290

Molecular Formula

C24H23ClN4O3 (C24 H23 ClN4 O3)

Compound Name

1-(4-chlorophenyl)-3-ethyl-4-[4-(3-methyl-1-pyridiniumyl)-2,5-dioxo-1-propyl-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]-25-dioxo-1-propyl-25-dihydro-1H-pyrrol-3-yl}-3-methyl-1lambda5-pyridin-1-ylium

SMILES

CCCN(C(C(c(c(CC)nn1-c(cc2)ccc2Cl)c1[O-])=C1[n+]2cc(C)ccc2)=O)C1=O

InChI

InChI=1S/C24H23ClN4O3/c1-4-12-28-22(30)20(21(24(28)32)27-13-6-7-15(3)14-27)19-18(5-2)26-29(23(19)31)17-10-8-16(25)9-11-17/h6-11,13-14H,4-5,12H2,1-3H3

InChI Key

DDRCCWZXAXJUGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19722141

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

450.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.932

Distribution Coefficient, logD

3.932

Water Solubility, LogSw

-4.43

Polar Surface Area

63.059

Acid Dissociation Constant (pKa)

27.70

Base Dissociation Constant (pKb)

-7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V013-9290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9290?
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What is the minimum amount of V013-9290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9290
  • 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 V013-9290 available by request