1254-0290 Screening compound: 6-bromo-3-[1-(4-methylbenzenesulfonyl)-5-[(1E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1,2-dihydroquinolin-2-one

1254-0290 Screening compound: 6-bromo-3-[1-(4-methylbenzenesulfonyl)-5-[(1E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1,2-dihydroquinolin-2-one
1254-0290 Screening compound: 6-bromo-3-[1-(4-methylbenzenesulfonyl)-5-[(1E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1254-0290
6-bromo-3-[1-(4-methylbenzenesulfonyl)-5-[(1E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]-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

1254-0290

Molecular Formula

C33H26BrN3O3S (C33 H26 BrN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1S(N(C(C1)/C=C/c2ccccc2)N=C1C1=C(c2ccccc2)c(cc(cc2)Br)c2NC1=O)(=O)=O

InChI

InChI=1S/C33H26BrN3O3S/c1-22-12-17-27(18-13-22)41(39,40)37-26(16-14-23-8-4-2-5-9-23)21-30(36-37)32-31(24-10-6-3-7-11-24)28-20-25(34)15-19-29(28)35-33(32)38/h2-20,26H,21H2,1H3,(H,35,38)/b16-14+/t26-/m0/s1

InChI Key

FISBLYIOCLQMDS-FPBAGDOUSA-N

MDL Number (MFCD)

MFCD00643522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

624.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.940

Distribution Coefficient, logD

7.790

Water Solubility, LogSw

-5.71

Polar Surface Area

66.910

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

1254-0290 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1254-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1254-0290?
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What is the minimum amount of 1254-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1254-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1254-0290
  • 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 1254-0290 available by request