4909-0063 Screening compound: 3-[1-benzoyl-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-6-methoxyquinoline

4909-0063 Screening compound: 3-[1-benzoyl-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-6-methoxyquinoline
4909-0063 Screening compound: 3-[1-benzoyl-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-6-methoxyquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4909-0063
3-[1-benzoyl-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-6-methoxyquinoline

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

4909-0063

Molecular Formula

C27H22ClN3O3 (C27 H22 ClN3 O3)

Compound Name

3-[1-benzoyl-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-6-methoxyquinoline

IUPAC name

3-[1-benzoyl-3-(4-methoxyphenyl)-45-dihydro-1H-pyrazol-5-yl]-2-chloro-6-methoxyquinoline

SMILES

COc(cc1)ccc1C(CC1c2cc3cc(OC)ccc3nc2Cl)=NN1C(c1ccccc1)=O

InChI

InChI=1S/C27H22ClN3O3/c1-33-20-10-8-17(9-11-20)24-16-25(31(30-24)27(32)18-6-4-3-5-7-18)22-15-19-14-21(34-2)12-13-23(19)29-26(22)28/h3-15,25H,16H2,1-2H3/t25-/m0/s1

InChI Key

DFMFYJVDSQFADL-VWLOTQADSA-N

MDL Number (MFCD)

MFCD03666117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.013

Distribution Coefficient, logD

6.013

Water Solubility, LogSw

-6.17

Polar Surface Area

51.170

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

4909-0063 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4909-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4909-0063?
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What is the minimum amount of 4909-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4909-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4909-0063
  • 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 4909-0063 available by request