5312-0011 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-7,7-dimethyl-2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

5312-0011 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-7,7-dimethyl-2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
5312-0011 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-7,7-dimethyl-2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5312-0011
N-[2-(3,4-dimethoxyphenyl)ethyl]-7,7-dimethyl-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

5312-0011

Molecular Formula

C28H30N2O5 (C28 H30 N2 O5)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-7,7-dimethyl-2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-77-dimethyl-25-dioxo-1-phenyl-125678-hexahydroquinoline-3-carboxamide

SMILES

CC(C)(C1)CC(N(c2ccccc2)C(C(C(NCCc(cc2)cc(OC)c2OC)=O)=C2)=O)=C2C1=O

InChI

InChI=1S/C28H30N2O5/c1-28(2)16-22-20(23(31)17-28)15-21(27(33)30(22)19-8-6-5-7-9-19)26(32)29-13-12-18-10-11-24(34-3)25(14-18)35-4/h5-11,14-15H,12-13,16-17H2,1-4H3,(H,29,32)

InChI Key

JADKQHODCGQMCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03706539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.412

Distribution Coefficient, logD

2.412

Water Solubility, LogSw

-2.86

Polar Surface Area

68.096

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

-4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

5312-0011 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5312-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5312-0011?
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What is the minimum amount of 5312-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5312-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5312-0011
  • 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 5312-0011 available by request