4477-1007 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[1-(3-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide

4477-1007 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[1-(3-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide
4477-1007 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[1-(3-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-1007
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[1-(3-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide

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

4477-1007

Molecular Formula

C34H29N3O5 (C34 H29 N3 O5)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[1-(3-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-[1-(3-methoxybenzoyl)-2-methyl-1234-tetrahydroquinolin-4-yl]-N-phenylacetamide

SMILES

CC(CC1N(C(CN(C(c2c3cccc2)=O)C3=O)=O)c2ccccc2)N(C(c2cc(OC)ccc2)=O)c2c1cccc2

InChI

InChI=1S/C34H29N3O5/c1-22-19-30(28-17-8-9-18-29(28)36(22)32(39)23-11-10-14-25(20-23)42-2)37(24-12-4-3-5-13-24)31(38)21-35-33(40)26-15-6-7-16-27(26)34(35)41/h3-18,20,22,30H,19,21H2,1-2H3

InChI Key

RXLZQUWDEBRSNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01363157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.618

Distribution Coefficient, logD

4.618

Water Solubility, LogSw

-4.49

Polar Surface Area

65.008

Acid Dissociation Constant (pKa)

22.49

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.60

4477-1007 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4477-1007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-1007?
Check Price and Availability of 4477-1007, 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 4477-1007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-1007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-1007
  • 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 4477-1007 available by request