8006-5604 Screening compound: 5-amino-3-[(1Z)-2-{4-[(1Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoeth-1-en-1-yl]phenyl}-1-cyanoeth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

8006-5604 Screening compound: 5-amino-3-[(1Z)-2-{4-[(1Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoeth-1-en-1-yl]phenyl}-1-cyanoeth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
8006-5604 Screening compound: 5-amino-3-[(1Z)-2-{4-[(1Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoeth-1-en-1-yl]phenyl}-1-cyanoeth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5604
5-amino-3-[(1Z)-2-{4-[(1Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoeth-1-en-1-yl]phenyl}-1-cyanoeth-1-en-1-yl]-1-(2-hydroxyethyl)-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

8006-5604

Molecular Formula

C24H20N10O2 (C24 H20 N10 O2)

Compound Name

5-amino-3-[(1Z)-2-{4-[(1Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoeth-1-en-1-yl]phenyl}-1-cyanoeth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

IUPAC name

5-amino-3-[(1Z)-2-{4-[(1Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoeth-1-en-1-yl]phenyl}-1-cyanoeth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

SMILES

Nc(n(CCO)nc1/C(/C#N)=C/c2ccc(/C=C(/c3nn(CCO)c(N)c3C#N)\C#N)cc2)c1C#N

InChI

InChI=1S/C24H20N10O2/c25-11-17(21-19(13-27)23(29)33(31-21)5-7-35)9-15-1-2-16(4-3-15)10-18(12-26)22-20(14-28)24(30)34(32-22)6-8-36/h1-4,9-10,35-36H,5-8,29-30H2

InChI Key

SLDWQWCWXOAYKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-0.202

Distribution Coefficient, logD

-0.202

Water Solubility, LogSw

-0.85

Polar Surface Area

169.184

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8006-5604 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8006-5604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5604?
Check Price and Availability of 8006-5604, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8006-5604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5604
  • 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 8006-5604 available by request