2237-1754 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-{4-[ethyl(methyl)amino]phenyl}eth-1-en-1-yl]-1H-pyrazole-4-carbonitrile

2237-1754 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-{4-[ethyl(methyl)amino]phenyl}eth-1-en-1-yl]-1H-pyrazole-4-carbonitrile
2237-1754 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-{4-[ethyl(methyl)amino]phenyl}eth-1-en-1-yl]-1H-pyrazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2237-1754
5-amino-3-[(1Z)-1-cyano-2-{4-[ethyl(methyl)amino]phenyl}eth-1-en-1-yl]-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

2237-1754

Molecular Formula

C16H16N6 (C16 H16 N6)

Compound Name

5-amino-3-[(1Z)-1-cyano-2-{4-[ethyl(methyl)amino]phenyl}eth-1-en-1-yl]-1H-pyrazole-4-carbonitrile

IUPAC name

5-amino-3-[(1Z)-1-cyano-2-{4-[ethyl(methyl)amino]phenyl}eth-1-en-1-yl]-1H-pyrazole-4-carbonitrile

SMILES

CCN(C)c1ccc(/C=C(/c2n[nH]c(N)c2C#N)\C#N)cc1

InChI

InChI=1S/C16H16N6/c1-3-22(2)13-6-4-11(5-7-13)8-12(9-17)15-14(10-18)16(19)21-20-15/h4-8H,3H2,1-2H3,(H3,19,20,21)

InChI Key

HWQXLGQASVYHTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01363635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.919

Distribution Coefficient, logD

1.915

Water Solubility, LogSw

-2.05

Polar Surface Area

81.259

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

2237-1754 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2237-1754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2237-1754?
Check Price and Availability of 2237-1754, 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 2237-1754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2237-1754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2237-1754
  • 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 2237-1754 available by request