3333-3394 Screening compound: 4-[3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

3333-3394 Screening compound: 4-[3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
3333-3394 Screening compound: 4-[3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3333-3394
4-[3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(2-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

3333-3394

Molecular Formula

C29H24BrN3O5 (C29 H24 BrN3 O5)

Compound Name

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

SMILES

COc1c(C(C2)N(C(CCC(O)=O)=O)N=C2C2=C(c3ccccc3)c(cc(cc3)Br)c3NC2=O)cccc1

InChI

InChI=1S/C29H24BrN3O5/c1-38-24-10-6-5-9-19(24)23-16-22(32-33(23)25(34)13-14-26(35)36)28-27(17-7-3-2-4-8-17)20-15-18(30)11-12-21(20)31-29(28)37/h2-12,15,23H,13-14,16H2,1H3,(H,31,37)(H,35,36)/t23-/m1/s1

InChI Key

RPEUKQRJUZBWKV-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD02048500

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

5.068

Distribution Coefficient, logD

2.118

Water Solubility, LogSw

-4.61

Polar Surface Area

87.479

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.20

3333-3394 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3333-3394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3333-3394?
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What is the minimum amount of 3333-3394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3333-3394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3333-3394
  • 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 3333-3394 available by request