3826-1560 Screening compound: methyl 4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3826-1560 Screening compound: methyl 4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3826-1560 Screening compound: methyl 4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3826-1560
methyl 4-(2,4-dimethoxyphenyl)-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

3826-1560

Molecular Formula

C20H23NO5 (C20 H23 NO5)

Compound Name

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

IUPAC name

methyl 4-(24-dimethoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CCC1)=C(C2c(ccc(OC)c3)c3OC)C1=O)=C2C(OC)=O

InChI

InChI=1S/C20H23NO5/c1-11-17(20(23)26-4)18(19-14(21-11)6-5-7-15(19)22)13-9-8-12(24-2)10-16(13)25-3/h8-10,18,21H,5-7H2,1-4H3/t18-/m0/s1

InChI Key

UJQKNCZYHQEGRJ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00771019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.940

Distribution Coefficient, logD

-0.956

Water Solubility, LogSw

-3.46

Polar Surface Area

60.269

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

3826-1560 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3826-1560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3826-1560?
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What is the minimum amount of 3826-1560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3826-1560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3826-1560
  • 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 3826-1560 available by request