V030-6448 Screening compound: 4-[4-(3,5-dimethyl-1-pyridiniumyl)-2,5-dioxo-1-(tetrahydro-2-furanylmethyl)-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1-phenyl-1H-pyrazol-5-olate

V030-6448 Screening compound: 4-[4-(3,5-dimethyl-1-pyridiniumyl)-2,5-dioxo-1-(tetrahydro-2-furanylmethyl)-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1-phenyl-1H-pyrazol-5-olate
V030-6448 Screening compound: 4-[4-(3,5-dimethyl-1-pyridiniumyl)-2,5-dioxo-1-(tetrahydro-2-furanylmethyl)-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1-phenyl-1H-pyrazol-5-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-6448
4-[4-(3,5-dimethyl-1-pyridiniumyl)-2,5-dioxo-1-(tetrahydro-2-furanylmethyl)-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1-phenyl-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

V030-6448

Molecular Formula

C27H28N4O4 (C27 H28 N4 O4)

Compound Name

4-[4-(3,5-dimethyl-1-pyridiniumyl)-2,5-dioxo-1-(tetrahydro-2-furanylmethyl)-2,5-dihydro-1H-pyrrol-3-yl]-3-ethyl-1-phenyl-1H-pyrazol-5-olate

IUPAC name

1-[4-(3-ethyl-5-oxido-1-phenyl-1H-pyrazol-4-yl)-25-dioxo-1-[(oxolan-2-yl)methyl]-25-dihydro-1H-pyrrol-3-yl]-35-dimethyl-1lambda5-pyridin-1-ylium

SMILES

CCc(c(C(C(N(CC1OCCC1)C1=O)=O)=C1[n+]1cc(C)cc(C)c1)c1[O-])nn1-c1ccccc1

InChI

InChI=1S/C27H28N4O4/c1-4-21-22(26(33)31(28-21)19-9-6-5-7-10-19)23-24(29-14-17(2)13-18(3)15-29)27(34)30(25(23)32)16-20-11-8-12-35-20/h5-7,9-10,13-15,20H,4,8,11-12,16H2,1-3H3/t20-/m1/s1

InChI Key

MGKWIODSFJREPO-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD20006752

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

472.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.107

Distribution Coefficient, logD

3.107

Water Solubility, LogSw

-2.93

Polar Surface Area

71.356

Acid Dissociation Constant (pKa)

26.64

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V030-6448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-6448?
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What is the minimum amount of V030-6448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-6448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-6448
  • 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 V030-6448 available by request