8016-0763 Screening compound: N~3~-(2-ethylphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide

8016-0763 Screening compound: N~3~-(2-ethylphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide
8016-0763 Screening compound: N~3~-(2-ethylphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0763
N~3~-(2-ethylphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide

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

8016-0763

Molecular Formula

C27H28N2O4 (C27 H28 N2 O4)

Compound Name

N~3~-(2-ethylphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide

IUPAC name

N-(2-ethylphenyl)-1-(4-methoxyphenyl)-77-dimethyl-25-dioxo-125678-hexahydroquinoline-3-carboxamide

SMILES

CCc(cccc1)c1NC(C1=CC(C(CC(C)(C)C2)=O)=C2N(c(cc2)ccc2OC)C1=O)=O

InChI

InChI=1S/C27H28N2O4/c1-5-17-8-6-7-9-22(17)28-25(31)21-14-20-23(15-27(2,3)16-24(20)30)29(26(21)32)18-10-12-19(33-4)13-11-18/h6-14H,5,15-16H2,1-4H3,(H,28,31)

InChI Key

FIDNGEHDHRHZMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05260061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.194

Distribution Coefficient, logD

4.190

Water Solubility, LogSw

-4.27

Polar Surface Area

58.517

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.63

8016-0763 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 8016-0763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0763?
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What is the minimum amount of 8016-0763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0763
  • 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 8016-0763 available by request