C163-0256 Screening compound: 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(naphthalen-1-yl)butanamide

C163-0256 Screening compound: 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(naphthalen-1-yl)butanamide
C163-0256 Screening compound: 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(naphthalen-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C163-0256
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(naphthalen-1-yl)butanamide

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

C163-0256

Molecular Formula

C19H20N4O3 (C19 H20 N4 O3)

Compound Name

4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(naphthalen-1-yl)butanamide

IUPAC name

4-(35-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(naphthalen-1-yl)butanamide

SMILES

Cc(n(CCCC(Nc1cccc2ccccc12)=O)nc1C)c1[N+]([O-])=O

InChI

InChI=1S/C19H20N4O3/c1-13-19(23(25)26)14(2)22(21-13)12-6-11-18(24)20-17-10-5-8-15-7-3-4-9-16(15)17/h3-5,7-10H,6,11-12H2,1-2H3,(H,20,24)

InChI Key

YPUOVWDXJGDNMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.000

Distribution Coefficient, logD

1.999

Water Solubility, LogSw

-2.73

Polar Surface Area

69.458

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C163-0256 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C163-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C163-0256?
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What is the minimum amount of C163-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C163-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C163-0256
  • 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 C163-0256 available by request