V011-4613 Screening compound: 1-(3-chlorophenyl)-4-[4-(3,5-dimethyl-1-pyridiniumyl)-2,5-dioxo-1-propyl-2,5-dihydro-1H-pyrrol-3-yl]-3-isopropyl-1H-pyrazol-5-olate

V011-4613 Screening compound: 1-(3-chlorophenyl)-4-[4-(3,5-dimethyl-1-pyridiniumyl)-2,5-dioxo-1-propyl-2,5-dihydro-1H-pyrrol-3-yl]-3-isopropyl-1H-pyrazol-5-olate
V011-4613 Screening compound: 1-(3-chlorophenyl)-4-[4-(3,5-dimethyl-1-pyridiniumyl)-2,5-dioxo-1-propyl-2,5-dihydro-1H-pyrrol-3-yl]-3-isopropyl-1H-pyrazol-5-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-4613
1-(3-chlorophenyl)-4-[4-(3,5-dimethyl-1-pyridiniumyl)-2,5-dioxo-1-propyl-2,5-dihydro-1H-pyrrol-3-yl]-3-isopropyl-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

V011-4613

Molecular Formula

C26H27ClN4O3 (C26 H27 ClN4 O3)

Compound Name

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

IUPAC name

1-{4-[1-(3-chlorophenyl)-5-oxido-3-(propan-2-yl)-1H-pyrazol-4-yl]-25-dioxo-1-propyl-25-dihydro-1H-pyrrol-3-yl}-35-dimethyl-1lambda5-pyridin-1-ylium

SMILES

CCCN(C(C(c(c(C(C)C)nn1-c2cccc(Cl)c2)c1[O-])=C1[n+]2cc(C)cc(C)c2)=O)C1=O

InChI

InChI=1S/C26H27ClN4O3/c1-6-10-30-24(32)21(23(26(30)34)29-13-16(4)11-17(5)14-29)20-22(15(2)3)28-31(25(20)33)19-9-7-8-18(27)12-19/h7-9,11-15H,6,10H2,1-5H3

InChI Key

UPDUIRDTJSUFRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19726680

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

478.98

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

5.451

Distribution Coefficient, logD

5.451

Water Solubility, LogSw

-5.55

Polar Surface Area

62.456

Acid Dissociation Constant (pKa)

26.08

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with V011-4613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-4613?
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What is the minimum amount of V011-4613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-4613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-4613
  • 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 V011-4613 available by request