0242-1229 Screening compound: 4-chloro-N-methyl-2-(3,4,5-trimethoxybenzoyl)aniline

0242-1229 Screening compound: 4-chloro-N-methyl-2-(3,4,5-trimethoxybenzoyl)aniline
0242-1229 Screening compound: 4-chloro-N-methyl-2-(3,4,5-trimethoxybenzoyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-1229
4-chloro-N-methyl-2-(3,4,5-trimethoxybenzoyl)aniline

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

0242-1229

Molecular Formula

C17H18ClNO4 (C17 H18 ClNO4)

Compound Name

4-chloro-N-methyl-2-(3,4,5-trimethoxybenzoyl)aniline

IUPAC name

4-chloro-N-methyl-2-(345-trimethoxybenzoyl)aniline

SMILES

CNc(ccc(Cl)c1)c1C(c(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C17H18ClNO4/c1-19-13-6-5-11(18)9-12(13)16(20)10-7-14(21-2)17(23-4)15(8-10)22-3/h5-9,19H,1-4H3

InChI Key

RHYSABVJUQRRBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00396259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.422

Distribution Coefficient, logD

3.422

Water Solubility, LogSw

-3.82

Polar Surface Area

46.642

Acid Dissociation Constant (pKa)

18.69

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

0242-1229 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antimitotic Tubulin Library (17355 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0242-1229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-1229?
Check Price and Availability of 0242-1229, 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 0242-1229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-1229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-1229
  • 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 0242-1229 available by request