V009-2885 Screening compound: 1-(3-chlorophenyl)-4-[1-isobutyl-4-(3-methyl-1-pyridiniumyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-propyl-1H-pyrazol-5-olate

V009-2885 Screening compound: 1-(3-chlorophenyl)-4-[1-isobutyl-4-(3-methyl-1-pyridiniumyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-3-propyl-1H-pyrazol-5-olate
V009-2885 Screening compound: 1-(3-chlorophenyl)-4-[1-isobutyl-4-(3-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 V009-2885
1-(3-chlorophenyl)-4-[1-isobutyl-4-(3-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

V009-2885

Molecular Formula

C26H27ClN4O3 (C26 H27 ClN4 O3)

Compound Name

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

SMILES

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

InChI

InChI=1S/C26H27ClN4O3/c1-5-8-20-21(25(33)31(28-20)19-11-6-10-18(27)13-19)22-23(29-12-7-9-17(4)15-29)26(34)30(24(22)32)14-16(2)3/h6-7,9-13,15-16H,5,8,14H2,1-4H3

InChI Key

GXPAKNOUJDDAJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19722009

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

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.947

Distribution Coefficient, logD

4.947

Water Solubility, LogSw

-4.63

Polar Surface Area

63.080

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

-7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

References: we are preparing a list of scientific research reports with V009-2885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-2885?
Check Price and Availability of V009-2885, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V009-2885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-2885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-2885
  • 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 V009-2885 available by request