C434-0046 Screening compound: 1-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-1H,4H-chromeno[4,3-c]pyrazol-4-one

C434-0046 Screening compound: 1-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-1H,4H-chromeno[4,3-c]pyrazol-4-one
C434-0046 Screening compound: 1-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-1H,4H-chromeno[4,3-c]pyrazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C434-0046
1-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-1H,4H-chromeno[4,3-c]pyrazol-4-one

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

C434-0046

Molecular Formula

C22H19N5O5 (C22 H19 N5 O5)

Compound Name

1-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-1H,4H-chromeno[4,3-c]pyrazol-4-one

IUPAC name

1-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-1H4H-chromeno[43-c]pyrazol-4-one

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1C(Cn1ncc2c1-c(cccc1)c1OC2=O)=O)=O

InChI

InChI=1S/C22H19N5O5/c28-20(25-11-9-24(10-12-25)15-5-7-16(8-6-15)27(30)31)14-26-21-17-3-1-2-4-19(17)32-22(29)18(21)13-23-26/h1-8,13H,9-12,14H2

InChI Key

USFVYEQBFYFEOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.440

Distribution Coefficient, logD

2.440

Water Solubility, LogSw

-2.88

Polar Surface Area

87.493

Acid Dissociation Constant (pKa)

24.22

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with C434-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C434-0046?
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What is the minimum amount of C434-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C434-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C434-0046
  • 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 C434-0046 available by request