4896-3969 Screening compound: 2-[(1E)-2-(1-acetyl-3-phenyl-1H-pyrazol-4-yl)ethenyl]quinolin-8-yl acetate

4896-3969 Screening compound: 2-[(1E)-2-(1-acetyl-3-phenyl-1H-pyrazol-4-yl)ethenyl]quinolin-8-yl acetate
4896-3969 Screening compound: 2-[(1E)-2-(1-acetyl-3-phenyl-1H-pyrazol-4-yl)ethenyl]quinolin-8-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-3969
2-[(1E)-2-(1-acetyl-3-phenyl-1H-pyrazol-4-yl)ethenyl]quinolin-8-yl 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

4896-3969

Molecular Formula

C24H19N3O3 (C24 H19 N3 O3)

Compound Name

2-[(1E)-2-(1-acetyl-3-phenyl-1H-pyrazol-4-yl)ethenyl]quinolin-8-yl acetate

IUPAC name

2-[(1E)-2-(1-acetyl-3-phenyl-1H-pyrazol-4-yl)ethenyl]quinolin-8-yl acetate

SMILES

CC(n(cc1/C=C/c2ccc(cccc3OC(C)=O)c3n2)nc1-c1ccccc1)=O

InChI

InChI=1S/C24H19N3O3/c1-16(28)27-15-20(23(26-27)18-7-4-3-5-8-18)12-14-21-13-11-19-9-6-10-22(24(19)25-21)30-17(2)29/h3-15H,1-2H3

InChI Key

WUSGTEYLHYLBEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02182611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.589

Distribution Coefficient, logD

3.589

Water Solubility, LogSw

-3.70

Polar Surface Area

58.969

Acid Dissociation Constant (pKa)

16.15

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

4896-3969 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4896-3969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-3969?
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What is the minimum amount of 4896-3969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-3969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-3969
  • 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 4896-3969 available by request