V010-2542 Screening compound: 1-(3,4-dichlorophenyl)-4-[1-(4-fluorophenyl)-2,5-dioxo-4-(1-pyridiniumyl)-2,5-dihydro-1H-pyrrol-3-yl]-3-isopropyl-1H-pyrazol-5-olate

V010-2542 Screening compound: 1-(3,4-dichlorophenyl)-4-[1-(4-fluorophenyl)-2,5-dioxo-4-(1-pyridiniumyl)-2,5-dihydro-1H-pyrrol-3-yl]-3-isopropyl-1H-pyrazol-5-olate
V010-2542 Screening compound: 1-(3,4-dichlorophenyl)-4-[1-(4-fluorophenyl)-2,5-dioxo-4-(1-pyridiniumyl)-2,5-dihydro-1H-pyrrol-3-yl]-3-isopropyl-1H-pyrazol-5-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-2542
1-(3,4-dichlorophenyl)-4-[1-(4-fluorophenyl)-2,5-dioxo-4-(1-pyridiniumyl)-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

V010-2542

Molecular Formula

C27H19Cl2FN4O3 (C27 H19 Cl2 FN4 O3)

Compound Name

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

IUPAC name

1-{4-[1-(34-dichlorophenyl)-5-oxido-3-(propan-2-yl)-1H-pyrazol-4-yl]-1-(4-fluorophenyl)-25-dioxo-25-dihydro-1H-pyrrol-3-yl}-1lambda5-pyridin-1-ylium

SMILES

CC(C)c(c(C(C(N(C1=O)c(cc2)ccc2F)=O)=C1[n+]1ccccc1)c1[O-])nn1-c(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C27H19Cl2FN4O3/c1-15(2)23-21(26(36)34(31-23)18-10-11-19(28)20(29)14-18)22-24(32-12-4-3-5-13-32)27(37)33(25(22)35)17-8-6-16(30)7-9-17/h3-15H,1-2H3

InChI Key

QTVJCZYSKIOIHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19721907

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

537.38

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

5.179

Distribution Coefficient, logD

5.179

Water Solubility, LogSw

-5.37

Polar Surface Area

61.809

Acid Dissociation Constant (pKa)

26.08

Base Dissociation Constant (pKb)

-12.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with V010-2542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-2542?
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What is the minimum amount of V010-2542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-2542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-2542
  • 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 V010-2542 available by request