1921-2230 Screening compound: cyclohexyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1921-2230 Screening compound: cyclohexyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1921-2230 Screening compound: cyclohexyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1921-2230
cyclohexyl 4-(3-bromo-4-methoxyphenyl)-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

1921-2230

Molecular Formula

C24H28BrNO4 (C24 H28 BrNO4)

Compound Name

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

IUPAC name

cyclohexyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CCC1)=C(C2c(cc3)cc(Br)c3OC)C1=O)=C2C(OC1CCCCC1)=O

InChI

InChI=1S/C24H28BrNO4/c1-14-21(24(28)30-16-7-4-3-5-8-16)22(15-11-12-20(29-2)17(25)13-15)23-18(26-14)9-6-10-19(23)27/h11-13,16,22,26H,3-10H2,1-2H3/t22-/m0/s1

InChI Key

IKBVXNDSGOZXCS-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00752949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.188

Distribution Coefficient, logD

1.292

Water Solubility, LogSw

-5.08

Polar Surface Area

51.636

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

1921-2230 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 1921-2230 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1921-2230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1921-2230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1921-2230
  • 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 1921-2230 available by request