2144-0948 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-(3,5-dichloro-2-methoxyphenyl)eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

2144-0948 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-(3,5-dichloro-2-methoxyphenyl)eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
2144-0948 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-(3,5-dichloro-2-methoxyphenyl)eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2144-0948
5-amino-3-[(1Z)-1-cyano-2-(3,5-dichloro-2-methoxyphenyl)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

2144-0948

Molecular Formula

C16H13Cl2N5O2 (C16 H13 Cl2 N5 O2)

Compound Name

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

IUPAC name

5-amino-3-[(1Z)-1-cyano-2-(35-dichloro-2-methoxyphenyl)eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

SMILES

COc(c(/C=C(/c1nn(CCO)c(N)c1C#N)\C#N)cc(Cl)c1)c1Cl

InChI

InChI=1S/C16H13Cl2N5O2/c1-25-15-9(5-11(17)6-13(15)18)4-10(7-19)14-12(8-20)16(21)23(22-14)2-3-24/h4-6,24H,2-3,21H2,1H3

InChI Key

ZFIVPZDYTYCRPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01160958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.158

Distribution Coefficient, logD

2.158

Water Solubility, LogSw

-2.96

Polar Surface Area

92.428

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 2144-0948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2144-0948?
Check Price and Availability of 2144-0948, 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 2144-0948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2144-0948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2144-0948
  • 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 2144-0948 available by request