2297-0132 Screening compound: 4-[3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

2297-0132 Screening compound: 4-[3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
2297-0132 Screening compound: 4-[3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2297-0132
4-[3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

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

2297-0132

Molecular Formula

C29H24BrN3O5 (C29 H24 BrN3 O5)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C(C2)N(C(CCC(O)=O)=O)N=C2C2=C(c3ccccc3)c(cc(cc3)Br)c3NC2=O)cc1

InChI

InChI=1S/C29H24BrN3O5/c1-38-20-10-7-17(8-11-20)24-16-23(32-33(24)25(34)13-14-26(35)36)28-27(18-5-3-2-4-6-18)21-15-19(30)9-12-22(21)31-29(28)37/h2-12,15,24H,13-14,16H2,1H3,(H,31,37)(H,35,36)/t24-/m1/s1

InChI Key

PWTQWFZEEBTPPO-XMMPIXPASA-N

MDL Number (MFCD)

MFCD01051692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.896

Distribution Coefficient, logD

1.946

Water Solubility, LogSw

-4.50

Polar Surface Area

87.392

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.20

2297-0132 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 2297-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2297-0132?
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What is the minimum amount of 2297-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2297-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2297-0132
  • 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 2297-0132 available by request