2326-3301 Screening compound: ethyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2326-3301 Screening compound: ethyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2326-3301 Screening compound: ethyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2326-3301
ethyl 4-(2,5-dimethoxyphenyl)-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

2326-3301

Molecular Formula

C27H29NO5 (C27 H29 NO5)

Compound Name

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

IUPAC name

ethyl 4-(25-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOC(C(C1c(cc(cc2)OC)c2OC)=C(C)NC(CC(C2)c3ccccc3)=C1C2=O)=O

InChI

InChI=1S/C27H29NO5/c1-5-33-27(30)24-16(2)28-21-13-18(17-9-7-6-8-10-17)14-22(29)26(21)25(24)20-15-19(31-3)11-12-23(20)32-4/h6-12,15,18,25,28H,5,13-14H2,1-4H3

InChI Key

LHOPGBMTJNPIDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00614927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.53

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

5.375

Distribution Coefficient, logD

0.895

Water Solubility, LogSw

-5.43

Polar Surface Area

59.578

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

2326-3301 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 2326-3301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2326-3301?
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What is the minimum amount of 2326-3301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2326-3301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2326-3301
  • 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 2326-3301 available by request