2189-1242 Screening compound: 4-[5-(3-bromophenyl)-3-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

2189-1242 Screening compound: 4-[5-(3-bromophenyl)-3-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
2189-1242 Screening compound: 4-[5-(3-bromophenyl)-3-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2189-1242
4-[5-(3-bromophenyl)-3-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-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

2189-1242

Molecular Formula

C29H23BrClN3O3 (C29 H23 BrClN3 O3)

Compound Name

4-[5-(3-bromophenyl)-3-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

IUPAC name

4-[5-(3-bromophenyl)-3-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-45-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

SMILES

Cc(c(C(CC1c2cccc(Br)c2)=NN1C(CCC(O)=O)=O)c(-c1ccccc1)c1c2)nc1ccc2Cl

InChI

InChI=1S/C29H23BrClN3O3/c1-17-28(29(18-6-3-2-4-7-18)22-15-21(31)10-11-23(22)32-17)24-16-25(19-8-5-9-20(30)14-19)34(33-24)26(35)12-13-27(36)37/h2-11,14-15,25H,12-13,16H2,1H3,(H,36,37)/t25-/m0/s1

InChI Key

ZTKBZPIYMFZPOU-VWLOTQADSA-N

MDL Number (MFCD)

MFCD01051680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.757

Distribution Coefficient, logD

3.808

Water Solubility, LogSw

-6.05

Polar Surface Area

63.879

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.20

References: we are preparing a list of scientific research reports with 2189-1242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2189-1242?
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What is the minimum amount of 2189-1242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2189-1242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2189-1242
  • 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 2189-1242 available by request