V012-1482 Screening compound: 1-(4-chlorophenyl)-4-[1-(4-fluorophenyl)-4-(4-methyl-1-pyridiniumyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate

V012-1482 Screening compound: 1-(4-chlorophenyl)-4-[1-(4-fluorophenyl)-4-(4-methyl-1-pyridiniumyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate
V012-1482 Screening compound: 1-(4-chlorophenyl)-4-[1-(4-fluorophenyl)-4-(4-methyl-1-pyridiniumyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazol-5-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-1482
1-(4-chlorophenyl)-4-[1-(4-fluorophenyl)-4-(4-methyl-1-pyridiniumyl)-2,5-dioxo-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

V012-1482

Molecular Formula

C26H18ClFN4O3 (C26 H18 ClFN4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(C(C(N(C1=O)c(cc2)ccc2F)=O)=C1[n+]1ccc(C)cc1)c1[O-])nn1-c(cc1)ccc1Cl

InChI

InChI=1S/C26H18ClFN4O3/c1-15-11-13-30(14-12-15)23-22(24(33)31(26(23)35)19-9-5-18(28)6-10-19)21-16(2)29-32(25(21)34)20-7-3-17(27)4-8-20/h3-14H,1-2H3

InChI Key

ZNFPZLKLAPXEOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19721942

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

488.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.268

Distribution Coefficient, logD

3.268

Water Solubility, LogSw

-3.58

Polar Surface Area

61.615

Acid Dissociation Constant (pKa)

30.05

Base Dissociation Constant (pKb)

-11.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

References: we are preparing a list of scientific research reports with V012-1482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-1482?
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What is the minimum amount of V012-1482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-1482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-1482
  • 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 V012-1482 available by request