3390-0245 Screening compound: N-(1-acetyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-4-nitro-N-phenylbenzamide

3390-0245 Screening compound: N-(1-acetyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-4-nitro-N-phenylbenzamide
3390-0245 Screening compound: N-(1-acetyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-4-nitro-N-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3390-0245
N-(1-acetyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-4-nitro-N-phenylbenzamide

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

3390-0245

Molecular Formula

C25H23N3O4 (C25 H23 N3 O4)

Compound Name

N-(1-acetyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-4-nitro-N-phenylbenzamide

IUPAC name

N-(1-acetyl-2-methyl-1234-tetrahydroquinolin-4-yl)-4-nitro-N-phenylbenzamide

SMILES

CC(CC1N(C(c(cc2)ccc2[N+]([O-])=O)=O)c2ccccc2)N(C(C)=O)c2c1cccc2

InChI

InChI=1S/C25H23N3O4/c1-17-16-24(22-10-6-7-11-23(22)26(17)18(2)29)27(20-8-4-3-5-9-20)25(30)19-12-14-21(15-13-19)28(31)32/h3-15,17,24H,16H2,1-2H3

InChI Key

BZFOADOJFCLPJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01975774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.069

Distribution Coefficient, logD

4.069

Water Solubility, LogSw

-4.21

Polar Surface Area

62.588

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.00

3390-0245 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3390-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3390-0245?
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What is the minimum amount of 3390-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3390-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3390-0245
  • 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 3390-0245 available by request