3331-1192 Screening compound: (2E)-1-(4-ethylphenyl)-3-[1-phenyl-3-(pyridin-3-yl)-1H-pyrazol-4-yl]prop-2-en-1-one

3331-1192 Screening compound: (2E)-1-(4-ethylphenyl)-3-[1-phenyl-3-(pyridin-3-yl)-1H-pyrazol-4-yl]prop-2-en-1-one
3331-1192 Screening compound: (2E)-1-(4-ethylphenyl)-3-[1-phenyl-3-(pyridin-3-yl)-1H-pyrazol-4-yl]prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3331-1192
(2E)-1-(4-ethylphenyl)-3-[1-phenyl-3-(pyridin-3-yl)-1H-pyrazol-4-yl]prop-2-en-1-one

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

3331-1192

Molecular Formula

C25H21N3O (C25 H21 N3 O)

Compound Name

(2E)-1-(4-ethylphenyl)-3-[1-phenyl-3-(pyridin-3-yl)-1H-pyrazol-4-yl]prop-2-en-1-one

IUPAC name

(2E)-1-(4-ethylphenyl)-3-[1-phenyl-3-(pyridin-3-yl)-1H-pyrazol-4-yl]prop-2-en-1-one

SMILES

CCc(cc1)ccc1C(/C=C/c1cn(-c2ccccc2)nc1-c1cnccc1)=O

InChI

InChI=1S/C25H21N3O/c1-2-19-10-12-20(13-11-19)24(29)15-14-22-18-28(23-8-4-3-5-9-23)27-25(22)21-7-6-16-26-17-21/h3-18H,2H2,1H3

InChI Key

OSSGWHOGIFENEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01909779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.900

Distribution Coefficient, logD

4.900

Water Solubility, LogSw

-4.36

Polar Surface Area

37.364

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

3331-1192 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3331-1192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3331-1192?
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What is the minimum amount of 3331-1192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3331-1192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3331-1192
  • 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 3331-1192 available by request