2039-0525 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-(4-fluorophenyl)eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

2039-0525 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-(4-fluorophenyl)eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
2039-0525 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-(4-fluorophenyl)eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2039-0525
5-amino-3-[(1Z)-1-cyano-2-(4-fluorophenyl)eth-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

2039-0525

Molecular Formula

C15H12FN5O (C15 H12 FN5 O)

Compound Name

5-amino-3-[(1Z)-1-cyano-2-(4-fluorophenyl)eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

IUPAC name

5-amino-3-[(1Z)-1-cyano-2-(4-fluorophenyl)eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

SMILES

Nc(n(CCO)nc1/C(/C#N)=C/c(cc2)ccc2F)c1C#N

InChI

InChI=1S/C15H12FN5O/c16-12-3-1-10(2-4-12)7-11(8-17)14-13(9-18)15(19)21(20-14)5-6-22/h1-4,7,22H,5-6,19H2

InChI Key

LZIGKAZJDMJQIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00656326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.023

Distribution Coefficient, logD

1.023

Water Solubility, LogSw

-1.09

Polar Surface Area

84.711

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 2039-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2039-0525?
Check Price and Availability of 2039-0525, 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 2039-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2039-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2039-0525
  • 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 2039-0525 available by request