2326-3227 Screening compound: methyl 4-[2-(benzyloxy)phenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2326-3227 Screening compound: methyl 4-[2-(benzyloxy)phenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2326-3227 Screening compound: methyl 4-[2-(benzyloxy)phenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2326-3227
methyl 4-[2-(benzyloxy)phenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-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

2326-3227

Molecular Formula

C31H28ClNO4 (C31 H28 ClNO4)

Compound Name

methyl 4-[2-(benzyloxy)phenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

methyl 4-[2-(benzyloxy)phenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c(cc2)ccc2Cl)=C(C2c(cccc3)c3OCc3ccccc3)C1=O)=C2C(OC)=O

InChI

InChI=1S/C31H28ClNO4/c1-19-28(31(35)36-2)29(24-10-6-7-11-27(24)37-18-20-8-4-3-5-9-20)30-25(33-19)16-22(17-26(30)34)21-12-14-23(32)15-13-21/h3-15,22,29,33H,16-18H2,1-2H3

InChI Key

NZCWIURWNILULK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01445562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.989

Distribution Coefficient, logD

2.509

Water Solubility, LogSw

-6.46

Polar Surface Area

52.138

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.60

2326-3227 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2326-3227 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2326-3227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2326-3227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2326-3227
  • 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 2326-3227 available by request