4303-0816 Screening compound: 6-amino-4-(3-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

4303-0816 Screening compound: 6-amino-4-(3-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
4303-0816 Screening compound: 6-amino-4-(3-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4303-0816
6-amino-4-(3-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

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

4303-0816

Molecular Formula

C26H27FN6O2 (C26 H27 FN6 O2)

Compound Name

6-amino-4-(3-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-3-methyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

IUPAC name

6-amino-4-(3-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-3-methyl-1H4H-pyrano[23-c]pyrazole-5-carbonitrile

SMILES

Cc1n[nH]c2c1C(c(cc1)cc(CN(CC3)CCN3c(cc3)ccc3F)c1OC)C(C#N)=C(N)O2

InChI

InChI=1S/C26H27FN6O2/c1-16-23-24(21(14-28)25(29)35-26(23)31-30-16)17-3-8-22(34-2)18(13-17)15-32-9-11-33(12-10-32)20-6-4-19(27)5-7-20/h3-8,13,24H,9-12,15,29H2,1-2H3,(H,30,31)/t24-/m0/s1

InChI Key

RMRMZYPGKLMUFK-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD02631368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.830

Distribution Coefficient, logD

2.728

Water Solubility, LogSw

-3.32

Polar Surface Area

85.174

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

4303-0816 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4303-0816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4303-0816?
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What is the minimum amount of 4303-0816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4303-0816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4303-0816
  • 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 4303-0816 available by request