1809-0224 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-[3-nitro-4-(piperidin-1-yl)phenyl]eth-1-en-1-yl]-1-phenyl-1H-pyrazole-4-carbonitrile

1809-0224 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-[3-nitro-4-(piperidin-1-yl)phenyl]eth-1-en-1-yl]-1-phenyl-1H-pyrazole-4-carbonitrile
1809-0224 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-[3-nitro-4-(piperidin-1-yl)phenyl]eth-1-en-1-yl]-1-phenyl-1H-pyrazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1809-0224
5-amino-3-[(1Z)-1-cyano-2-[3-nitro-4-(piperidin-1-yl)phenyl]eth-1-en-1-yl]-1-phenyl-1H-pyrazole-4-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

1809-0224

Molecular Formula

C24H21N7O2 (C24 H21 N7 O2)

Compound Name

5-amino-3-[(1Z)-1-cyano-2-[3-nitro-4-(piperidin-1-yl)phenyl]eth-1-en-1-yl]-1-phenyl-1H-pyrazole-4-carbonitrile

IUPAC name

5-amino-3-[(1Z)-1-cyano-2-[3-nitro-4-(piperidin-1-yl)phenyl]eth-1-en-1-yl]-1-phenyl-1H-pyrazole-4-carbonitrile

SMILES

Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c(cc2)cc([N+]([O-])=O)c2N2CCCCC2)c1C#N

InChI

InChI=1S/C24H21N7O2/c25-15-18(23-20(16-26)24(27)30(28-23)19-7-3-1-4-8-19)13-17-9-10-21(22(14-17)31(32)33)29-11-5-2-6-12-29/h1,3-4,7-10,13-14H,2,5-6,11-12,27H2

InChI Key

INBVYGLWFSISQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01029794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.947

Distribution Coefficient, logD

3.947

Water Solubility, LogSw

-4.45

Polar Surface Area

104.174

Acid Dissociation Constant (pKa)

16.79

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

1809-0224 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1809-0224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1809-0224?
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What is the minimum amount of 1809-0224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1809-0224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1809-0224
  • 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 1809-0224 available by request