V030-6412 Screening compound: 1-(3-chlorophenyl)-4-[1-isopropyl-4-(4-methyl-1-pyridiniumyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-propyl-1H-pyrazol-5-olate

V030-6412 Screening compound: 1-(3-chlorophenyl)-4-[1-isopropyl-4-(4-methyl-1-pyridiniumyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-propyl-1H-pyrazol-5-olate
V030-6412 Screening compound: 1-(3-chlorophenyl)-4-[1-isopropyl-4-(4-methyl-1-pyridiniumyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-propyl-1H-pyrazol-5-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-6412
1-(3-chlorophenyl)-4-[1-isopropyl-4-(4-methyl-1-pyridiniumyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-propyl-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

V030-6412

Molecular Formula

C25H25ClN4O3 (C25 H25 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCc(c(C(C(N(C(C)C)C1=O)=O)=C1[n+]1ccc(C)cc1)c1[O-])nn1-c1cccc(Cl)c1

InChI

InChI=1S/C25H25ClN4O3/c1-5-7-19-20(24(32)30(27-19)18-9-6-8-17(26)14-18)21-22(28-12-10-16(4)11-13-28)25(33)29(15(2)3)23(21)31/h6,8-15H,5,7H2,1-4H3

InChI Key

WXCCIPOYGWLLPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19722017

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

464.95

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

4.047

Distribution Coefficient, logD

4.047

Water Solubility, LogSw

-4.28

Polar Surface Area

62.908

Acid Dissociation Constant (pKa)

24.99

Base Dissociation Constant (pKb)

-8.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with V030-6412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-6412?
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What is the minimum amount of V030-6412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-6412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-6412
  • 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 V030-6412 available by request