C163-0079 Screening compound: 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2-phenylethyl)butanamide

C163-0079 Screening compound: 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2-phenylethyl)butanamide
C163-0079 Screening compound: 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2-phenylethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C163-0079
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2-phenylethyl)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

C163-0079

Molecular Formula

C16H19ClN4O3 (C16 H19 ClN4 O3)

Compound Name

4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2-phenylethyl)butanamide

IUPAC name

4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2-phenylethyl)butanamide

SMILES

Cc(n(CCCC(NCCc1ccccc1)=O)nc1[N+]([O-])=O)c1Cl

InChI

InChI=1S/C16H19ClN4O3/c1-12-15(17)16(21(23)24)19-20(12)11-5-8-14(22)18-10-9-13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3,(H,18,22)

InChI Key

IVRDBIUIZVHEED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.364

Distribution Coefficient, logD

1.364

Water Solubility, LogSw

-2.96

Polar Surface Area

71.549

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C163-0079 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C163-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C163-0079?
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What is the minimum amount of C163-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C163-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C163-0079
  • 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 C163-0079 available by request