2326-3282 Screening compound: 2-phenylethyl 4-(3-bromophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2326-3282 Screening compound: 2-phenylethyl 4-(3-bromophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2326-3282 Screening compound: 2-phenylethyl 4-(3-bromophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2326-3282
2-phenylethyl 4-(3-bromophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

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

2326-3282

Molecular Formula

C31H28BrNO3 (C31 H28 BrNO3)

Compound Name

2-phenylethyl 4-(3-bromophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-phenylethyl 4-(3-bromophenyl)-2-methyl-5-oxo-7-phenyl-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c2ccccc2)=C(C2c3cccc(Br)c3)C1=O)=C2C(OCCc1ccccc1)=O

InChI

InChI=1S/C31H28BrNO3/c1-20-28(31(35)36-16-15-21-9-4-2-5-10-21)29(23-13-8-14-25(32)17-23)30-26(33-20)18-24(19-27(30)34)22-11-6-3-7-12-22/h2-14,17,24,29,33H,15-16,18-19H2,1H3

InChI Key

ZHXRQCPTRAZMCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01445584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.372

Distribution Coefficient, logD

2.892

Water Solubility, LogSw

-5.68

Polar Surface Area

44.426

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.60

References: we are preparing a list of scientific research reports with 2326-3282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2326-3282?
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What is the minimum amount of 2326-3282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2326-3282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2326-3282
  • 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 2326-3282 available by request