3389-0959 Screening compound: N-(2-methyl-1-propanoyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-(3-nitrophenyl)benzamide

3389-0959 Screening compound: N-(2-methyl-1-propanoyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-(3-nitrophenyl)benzamide
3389-0959 Screening compound: N-(2-methyl-1-propanoyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-(3-nitrophenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3389-0959
N-(2-methyl-1-propanoyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-(3-nitrophenyl)benzamide

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

3389-0959

Molecular Formula

C26H25N3O4 (C26 H25 N3 O4)

Compound Name

N-(2-methyl-1-propanoyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-(3-nitrophenyl)benzamide

IUPAC name

N-(2-methyl-1-propanoyl-1234-tetrahydroquinolin-4-yl)-N-(3-nitrophenyl)benzamide

SMILES

CCC(N(C(C)CC1N(C(c2ccccc2)=O)c2cccc([N+]([O-])=O)c2)c2c1cccc2)=O

InChI

InChI=1S/C26H25N3O4/c1-3-25(30)27-18(2)16-24(22-14-7-8-15-23(22)27)28(26(31)19-10-5-4-6-11-19)20-12-9-13-21(17-20)29(32)33/h4-15,17-18,24H,3,16H2,1-2H3

InChI Key

WDFZFCUAYOJPRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01068113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.607

Distribution Coefficient, logD

4.607

Water Solubility, LogSw

-4.40

Polar Surface Area

61.593

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.10

3389-0959 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3389-0959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3389-0959?
Check Price and Availability of 3389-0959, 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 3389-0959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-0959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-0959
  • 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 3389-0959 available by request