3330-1162 Screening compound: 4-[3-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

3330-1162 Screening compound: 4-[3-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
3330-1162 Screening compound: 4-[3-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3330-1162
4-[3-(6-chloro-2-methyl-4-phenylquinolin-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

3330-1162

Molecular Formula

C30H26ClN3O4 (C30 H26 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(CC2c(cccc3)c3OC)=NN2C(CCC(O)=O)=O)c(-c2ccccc2)c(cc(cc2)Cl)c2n1

InChI

InChI=1S/C30H26ClN3O4/c1-18-29(30(19-8-4-3-5-9-19)22-16-20(31)12-13-23(22)32-18)24-17-25(21-10-6-7-11-26(21)38-2)34(33-24)27(35)14-15-28(36)37/h3-13,16,25H,14-15,17H2,1-2H3,(H,36,37)/t25-/m1/s1

InChI Key

CLBYCELYYKXIQT-RUZDIDTESA-N

MDL Number (MFCD)

MFCD02046150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.064

Distribution Coefficient, logD

3.114

Water Solubility, LogSw

-5.76

Polar Surface Area

71.509

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3330-1162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3330-1162?
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What is the minimum amount of 3330-1162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3330-1162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3330-1162
  • 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 3330-1162 available by request