2144-0895 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-{2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl}eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

2144-0895 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-{2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl}eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
2144-0895 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-{2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl}eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2144-0895
5-amino-3-[(1Z)-1-cyano-2-{2-[(2,4-dichlorophenyl)methoxy]-3-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

2144-0895

Molecular Formula

C23H19Cl2N5O3 (C23 H19 Cl2 N5 O3)

Compound Name

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

IUPAC name

5-amino-3-[(1Z)-1-cyano-2-{2-[(24-dichlorophenyl)methoxy]-3-methoxyphenyl}eth-1-en-1-yl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

SMILES

COc(cccc1/C=C(/c2nn(CCO)c(N)c2C#N)\C#N)c1OCc(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C23H19Cl2N5O3/c1-32-20-4-2-3-14(22(20)33-13-15-5-6-17(24)10-19(15)25)9-16(11-26)21-18(12-27)23(28)30(29-21)7-8-31/h2-6,9-10,31H,7-8,13,28H2,1H3

InChI Key

FYXGKTGEXYDSAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01066280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.533

Distribution Coefficient, logD

3.533

Water Solubility, LogSw

-4.01

Polar Surface Area

99.743

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with 2144-0895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2144-0895?
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What is the minimum amount of 2144-0895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2144-0895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2144-0895
  • 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 2144-0895 available by request