3330-1169 Screening compound: 4-[3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

3330-1169 Screening compound: 4-[3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
3330-1169 Screening compound: 4-[3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3330-1169
4-[3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-5-(2-fluorophenyl)-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

3330-1169

Molecular Formula

C29H23BrFN3O3 (C29 H23 BrFN3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(CC2c(cccc3)c3F)=NN2C(CCC(O)=O)=O)c(-c2ccccc2)c(cc(cc2)Br)c2n1

InChI

InChI=1S/C29H23BrFN3O3/c1-17-28(29(18-7-3-2-4-8-18)21-15-19(30)11-12-23(21)32-17)24-16-25(20-9-5-6-10-22(20)31)34(33-24)26(35)13-14-27(36)37/h2-12,15,25H,13-14,16H2,1H3,(H,36,37)/t25-/m1/s1

InChI Key

RWAWTIUQQCPUPB-RUZDIDTESA-N

MDL Number (MFCD)

MFCD02995934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.42

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

6.119

Distribution Coefficient, logD

3.170

Water Solubility, LogSw

-5.46

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

3330-1169 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3330-1169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3330-1169?
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What is the minimum amount of 3330-1169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3330-1169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3330-1169
  • 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 3330-1169 available by request