3414-0431 Screening compound: N-(4-methylphenyl)-2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

3414-0431 Screening compound: N-(4-methylphenyl)-2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
3414-0431 Screening compound: N-(4-methylphenyl)-2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3414-0431
N-(4-methylphenyl)-2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

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

3414-0431

Molecular Formula

C23H20N2O3 (C23 H20 N2 O3)

Compound Name

N-(4-methylphenyl)-2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

N-(4-methylphenyl)-25-dioxo-1-phenyl-125678-hexahydroquinoline-3-carboxamide

SMILES

Cc(cc1)ccc1NC(C1=CC(C(CCC2)=O)=C2N(c2ccccc2)C1=O)=O

InChI

InChI=1S/C23H20N2O3/c1-15-10-12-16(13-11-15)24-22(27)19-14-18-20(8-5-9-21(18)26)25(23(19)28)17-6-3-2-4-7-17/h2-4,6-7,10-14H,5,8-9H2,1H3,(H,24,27)

InChI Key

RWUPXSMTJKDHEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.190

Distribution Coefficient, logD

3.183

Water Solubility, LogSw

-3.63

Polar Surface Area

51.671

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with 3414-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3414-0431?
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What is the minimum amount of 3414-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3414-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3414-0431
  • 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 3414-0431 available by request