0590-0451 Screening compound: 2-chloro-3-[1-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methylquinoline

0590-0451 Screening compound: 2-chloro-3-[1-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methylquinoline
0590-0451 Screening compound: 2-chloro-3-[1-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methylquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 0590-0451
2-chloro-3-[1-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methylquinoline

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

0590-0451

Molecular Formula

C27H21Cl2N3O2 (C27 H21 Cl2 N3 O2)

Compound Name

2-chloro-3-[1-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methylquinoline

IUPAC name

2-chloro-3-[1-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-45-dihydro-1H-pyrazol-5-yl]-7-methylquinoline

SMILES

Cc1ccc(cc(C(C2)N(C(c(cc3)ccc3Cl)=O)N=C2c(cc2)ccc2OC)c(Cl)n2)c2c1

InChI

InChI=1S/C27H21Cl2N3O2/c1-16-3-4-19-14-22(26(29)30-23(19)13-16)25-15-24(17-7-11-21(34-2)12-8-17)31-32(25)27(33)18-5-9-20(28)10-6-18/h3-14,25H,15H2,1-2H3/t25-/m0/s1

InChI Key

VYFSTDYFKYRZHS-VWLOTQADSA-N

MDL Number (MFCD)

MFCD00323622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.082

Distribution Coefficient, logD

7.082

Water Solubility, LogSw

-6.45

Polar Surface Area

43.626

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

0590-0451 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 0590-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0590-0451?
Check Price and Availability of 0590-0451, 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 0590-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0590-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0590-0451
  • 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 0590-0451 available by request