0647-0042 Screening compound: 3-[1-(benzenesulfonyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-bromo-4-phenyl-1,2-dihydroquinolin-2-one

0647-0042 Screening compound: 3-[1-(benzenesulfonyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-bromo-4-phenyl-1,2-dihydroquinolin-2-one
0647-0042 Screening compound: 3-[1-(benzenesulfonyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-bromo-4-phenyl-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0647-0042
3-[1-(benzenesulfonyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-bromo-4-phenyl-1,2-dihydroquinolin-2-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

0647-0042

Molecular Formula

C31H24BrN3O4S (C31 H24 BrN3 O4 S)

Compound Name

3-[1-(benzenesulfonyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-bromo-4-phenyl-1,2-dihydroquinolin-2-one

IUPAC name

3-[1-(benzenesulfonyl)-5-(2-methoxyphenyl)-45-dihydro-1H-pyrazol-3-yl]-6-bromo-4-phenyl-12-dihydroquinolin-2-one

SMILES

COc1c(C(CC(C2=C(c3ccccc3)c(cc(cc3)Br)c3NC2=O)=N2)N2S(c2ccccc2)(=O)=O)cccc1

InChI

InChI=1S/C31H24BrN3O4S/c1-39-28-15-9-8-14-23(28)27-19-26(34-35(27)40(37,38)22-12-6-3-7-13-22)30-29(20-10-4-2-5-11-20)24-18-21(32)16-17-25(24)33-31(30)36/h2-18,27H,19H2,1H3,(H,33,36)/t27-/m1/s1

InChI Key

OXEIIVGWIPTASC-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD00314256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

614.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.840

Distribution Coefficient, logD

6.756

Water Solubility, LogSw

-5.69

Polar Surface Area

74.588

Acid Dissociation Constant (pKa)

8.07

Base Dissociation Constant (pKb)

-4.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.70

0647-0042 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0647-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0647-0042?
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What is the minimum amount of 0647-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0647-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0647-0042
  • 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 0647-0042 available by request