3939-0007 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

3939-0007 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
3939-0007 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3939-0007
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-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

3939-0007

Molecular Formula

C29H32N2O6 (C29 H32 N2 O6)

Compound Name

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

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-77-dimethyl-25-dioxo-125678-hexahydroquinoline-3-carboxamide

SMILES

CC(C)(C1)CC(N(c(cc2)ccc2OC)C(C(C(NCCc(cc2)cc(OC)c2OC)=O)=C2)=O)=C2C1=O

InChI

InChI=1S/C29H32N2O6/c1-29(2)16-23-21(24(32)17-29)15-22(28(34)31(23)19-7-9-20(35-3)10-8-19)27(33)30-13-12-18-6-11-25(36-4)26(14-18)37-5/h6-11,14-15H,12-13,16-17H2,1-5H3,(H,30,33)

InChI Key

REHXJGMHMKBHTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.516

Distribution Coefficient, logD

2.516

Water Solubility, LogSw

-2.90

Polar Surface Area

75.639

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

-3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

3939-0007 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 3939-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3939-0007?
Check Price and Availability of 3939-0007, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3939-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3939-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3939-0007
  • 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 3939-0007 available by request