1683-6203 Screening compound: N-(2,4-dimethylphenyl)-3-(4-nitrophenyl)-2-oxopropanamide

1683-6203 Screening compound: N-(2,4-dimethylphenyl)-3-(4-nitrophenyl)-2-oxopropanamide
1683-6203 Screening compound: N-(2,4-dimethylphenyl)-3-(4-nitrophenyl)-2-oxopropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-6203
N-(2,4-dimethylphenyl)-3-(4-nitrophenyl)-2-oxopropanamide

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

1683-6203

Molecular Formula

C17H16N2O4 (C17 H16 N2 O4)

Compound Name

N-(2,4-dimethylphenyl)-3-(4-nitrophenyl)-2-oxopropanamide

IUPAC name

N-(24-dimethylphenyl)-3-(4-nitrophenyl)-2-oxopropanamide

SMILES

Cc(cc1)cc(C)c1NC(C(Cc(cc1)ccc1[N+]([O-])=O)=O)=O

InChI

InChI=1S/C17H16N2O4/c1-11-3-8-15(12(2)9-11)18-17(21)16(20)10-13-4-6-14(7-5-13)19(22)23/h3-9H,10H2,1-2H3,(H,18,21)

InChI Key

OIJYMCUAWGVEBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00703831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.399

Distribution Coefficient, logD

3.398

Water Solubility, LogSw

-3.65

Polar Surface Area

69.260

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

1683-6203 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1683-6203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-6203?
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What is the minimum amount of 1683-6203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-6203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-6203
  • 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 1683-6203 available by request