2204-2976 Screening compound: 2-phenylethyl 4-(3,4-dichlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2204-2976 Screening compound: 2-phenylethyl 4-(3,4-dichlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2204-2976 Screening compound: 2-phenylethyl 4-(3,4-dichlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2204-2976
2-phenylethyl 4-(3,4-dichlorophenyl)-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

2204-2976

Molecular Formula

C25H23Cl2NO3 (C25 H23 Cl2 NO3)

Compound Name

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

IUPAC name

2-phenylethyl 4-(34-dichlorophenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CCC1)=C(C2c(cc3)cc(Cl)c3Cl)C1=O)=C2C(OCCc1ccccc1)=O

InChI

InChI=1S/C25H23Cl2NO3/c1-15-22(25(30)31-13-12-16-6-3-2-4-7-16)23(17-10-11-18(26)19(27)14-17)24-20(28-15)8-5-9-21(24)29/h2-4,6-7,10-11,14,23,28H,5,8-9,12-13H2,1H3/t23-/m0/s1

InChI Key

SVEPIMXVOAFWDG-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01193850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.186

Distribution Coefficient, logD

2.290

Water Solubility, LogSw

-6.18

Polar Surface Area

44.697

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

2204-2976 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 2204-2976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2204-2976?
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What is the minimum amount of 2204-2976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2204-2976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2204-2976
  • 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 2204-2976 available by request