1781-1974 Screening compound: cyclohexyl 4-(3,4-dichlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1781-1974 Screening compound: cyclohexyl 4-(3,4-dichlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1781-1974 Screening compound: cyclohexyl 4-(3,4-dichlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1781-1974
cyclohexyl 4-(3,4-dichlorophenyl)-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

1781-1974

Molecular Formula

C29H29Cl2NO3 (C29 H29 Cl2 NO3)

Compound Name

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

IUPAC name

cyclohexyl 4-(34-dichlorophenyl)-2-methyl-5-oxo-7-phenyl-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c2ccccc2)=C(C2c(cc3)cc(Cl)c3Cl)C1=O)=C2C(OC1CCCCC1)=O

InChI

InChI=1S/C29H29Cl2NO3/c1-17-26(29(34)35-21-10-6-3-7-11-21)27(19-12-13-22(30)23(31)14-19)28-24(32-17)15-20(16-25(28)33)18-8-4-2-5-9-18/h2,4-5,8-9,12-14,20-21,27,32H,3,6-7,10-11,15-16H2,1H3

InChI Key

QZHHTDUPWLMKRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00771579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.043

Distribution Coefficient, logD

3.562

Water Solubility, LogSw

-6.48

Polar Surface Area

43.734

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.90

1781-1974 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1781-1974 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1781-1974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1781-1974
  • 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 1781-1974 available by request