2144-0794 Screening compound: ethyl 2-{4-[(1Z)-2-(5-amino-4-cyano-1-phenyl-1H-pyrazol-3-yl)-2-cyanoeth-1-en-1-yl]-2-bromo-6-methoxyphenoxy}acetate

2144-0794 Screening compound: ethyl 2-{4-[(1Z)-2-(5-amino-4-cyano-1-phenyl-1H-pyrazol-3-yl)-2-cyanoeth-1-en-1-yl]-2-bromo-6-methoxyphenoxy}acetate
2144-0794 Screening compound: ethyl 2-{4-[(1Z)-2-(5-amino-4-cyano-1-phenyl-1H-pyrazol-3-yl)-2-cyanoeth-1-en-1-yl]-2-bromo-6-methoxyphenoxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2144-0794
ethyl 2-{4-[(1Z)-2-(5-amino-4-cyano-1-phenyl-1H-pyrazol-3-yl)-2-cyanoeth-1-en-1-yl]-2-bromo-6-methoxyphenoxy}acetate

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

2144-0794

Molecular Formula

C24H20BrN5O4 (C24 H20 BrN5 O4)

Compound Name

ethyl 2-{4-[(1Z)-2-(5-amino-4-cyano-1-phenyl-1H-pyrazol-3-yl)-2-cyanoeth-1-en-1-yl]-2-bromo-6-methoxyphenoxy}acetate

IUPAC name

ethyl 2-{4-[(1Z)-2-(5-amino-4-cyano-1-phenyl-1H-pyrazol-3-yl)-2-cyanoeth-1-en-1-yl]-2-bromo-6-methoxyphenoxy}acetate

SMILES

CCOC(COc(c(OC)cc(/C=C(/c(c(C#N)c1N)nn1-c1ccccc1)\C#N)c1)c1Br)=O

InChI

InChI=1S/C24H20BrN5O4/c1-3-33-21(31)14-34-23-19(25)10-15(11-20(23)32-2)9-16(12-26)22-18(13-27)24(28)30(29-22)17-7-5-4-6-8-17/h4-11H,3,14,28H2,1-2H3

InChI Key

KLDGNTNUUNRJRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01359769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.572

Distribution Coefficient, logD

3.572

Water Solubility, LogSw

-4.00

Polar Surface Area

103.404

Acid Dissociation Constant (pKa)

16.79

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 2144-0794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2144-0794?
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What is the minimum amount of 2144-0794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2144-0794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2144-0794
  • 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 2144-0794 available by request