2367-1114 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}eth-1-en-1-yl]-1-phenyl-1H-pyrazole-4-carbonitrile

2367-1114 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}eth-1-en-1-yl]-1-phenyl-1H-pyrazole-4-carbonitrile
2367-1114 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}eth-1-en-1-yl]-1-phenyl-1H-pyrazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2367-1114
5-amino-3-[(1Z)-1-cyano-2-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}eth-1-en-1-yl]-1-phenyl-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

2367-1114

Molecular Formula

C24H14F3N5O (C24 H14 F3 N5 O)

Compound Name

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

IUPAC name

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

SMILES

Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1C#N

InChI

InChI=1S/C24H14F3N5O/c25-24(26,27)17-6-4-5-15(11-17)21-10-9-19(33-21)12-16(13-28)22-20(14-29)23(30)32(31-22)18-7-2-1-3-8-18/h1-12H,30H2

InChI Key

LMCQPYUDYYMFFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01446527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.074

Distribution Coefficient, logD

5.074

Water Solubility, LogSw

-5.24

Polar Surface Area

75.512

Acid Dissociation Constant (pKa)

16.79

Base Dissociation Constant (pKb)

-3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

References: we are preparing a list of scientific research reports with 2367-1114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2367-1114?
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What is the minimum amount of 2367-1114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2367-1114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2367-1114
  • 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 2367-1114 available by request