2406-3708 Screening compound: butan-2-yl 4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2406-3708 Screening compound: butan-2-yl 4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2406-3708 Screening compound: butan-2-yl 4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2406-3708
butan-2-yl 4-(3-methoxyphenyl)-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

2406-3708

Molecular Formula

C28H31NO4 (C28 H31 NO4)

Compound Name

butan-2-yl 4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

butan-2-yl 4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-145678-hexahydroquinoline-3-carboxylate

SMILES

CCC(C)OC(C(C1c2cc(OC)ccc2)=C(C)NC(CC(C2)c3ccccc3)=C1C2=O)=O

InChI

InChI=1S/C28H31NO4/c1-5-17(2)33-28(31)25-18(3)29-23-15-21(19-10-7-6-8-11-19)16-24(30)27(23)26(25)20-12-9-13-22(14-20)32-4/h6-14,17,21,26,29H,5,15-16H2,1-4H3

InChI Key

RUCSBLGADDDLHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01471142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.246

Distribution Coefficient, logD

1.766

Water Solubility, LogSw

-5.53

Polar Surface Area

51.509

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

35.70

2406-3708 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 2406-3708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2406-3708?
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What is the minimum amount of 2406-3708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2406-3708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2406-3708
  • 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 2406-3708 available by request