0863-0122 Screening compound: (2E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)prop-2-en-1-one

0863-0122 Screening compound: (2E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)prop-2-en-1-one
0863-0122 Screening compound: (2E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0863-0122
(2E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(1,3-diphenyl-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

0863-0122

Molecular Formula

C34H24ClN3O (C34 H24 ClN3 O)

Compound Name

(2E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)prop-2-en-1-one

IUPAC name

(2E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(13-diphenyl-1H-pyrazol-4-yl)prop-2-en-1-one

SMILES

Cc1c(C(/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)=O)c(-c2ccccc2)c(cc(cc2)Cl)c2n1

InChI

InChI=1S/C34H24ClN3O/c1-23-32(33(24-11-5-2-6-12-24)29-21-27(35)18-19-30(29)36-23)31(39)20-17-26-22-38(28-15-9-4-10-16-28)37-34(26)25-13-7-3-8-14-25/h2-22H,1H3

InChI Key

KSIYJRSOFPXPLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.04

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

8.323

Distribution Coefficient, logD

8.323

Water Solubility, LogSw

-6.61

Polar Surface Area

36.482

Acid Dissociation Constant (pKa)

27.57

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

2.90

0863-0122 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 0863-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0863-0122?
Check Price and Availability of 0863-0122, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0863-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0863-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0863-0122
  • 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 0863-0122 available by request