V009-0707 Screening compound: 1-(3-chlorophenyl)-3-ethyl-4-[1-isopropyl-4-(3-methyl-1-pyridiniumyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate

V009-0707 Screening compound: 1-(3-chlorophenyl)-3-ethyl-4-[1-isopropyl-4-(3-methyl-1-pyridiniumyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-pyrazol-5-olate
V009-0707 Screening compound: 1-(3-chlorophenyl)-3-ethyl-4-[1-isopropyl-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 V009-0707
1-(3-chlorophenyl)-3-ethyl-4-[1-isopropyl-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

V009-0707

Molecular Formula

C24H23ClN4O3 (C24 H23 ClN4 O3)

Compound Name

1-(3-chlorophenyl)-3-ethyl-4-[1-isopropyl-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]-25-dioxo-1-(propan-2-yl)-25-dihydro-1H-pyrrol-3-yl}-3-methyl-1lambda5-pyridin-1-ylium

SMILES

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

InChI

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

InChI Key

FZTMKJCFXWNXRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19722011

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

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.845

Distribution Coefficient, logD

3.845

Water Solubility, LogSw

-4.18

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

25.00

References: we are preparing a list of scientific research reports with V009-0707 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-0707?
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What is the minimum amount of V009-0707 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-0707
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-0707
  • 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 V009-0707 available by request