C163-0297 Screening compound: N-[(4-chlorophenyl)methyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide

C163-0297 Screening compound: N-[(4-chlorophenyl)methyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
C163-0297 Screening compound: N-[(4-chlorophenyl)methyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C163-0297
N-[(4-chlorophenyl)methyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-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

C163-0297

Molecular Formula

C16H19ClN4O3 (C16 H19 ClN4 O3)

Compound Name

N-[(4-chlorophenyl)methyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide

IUPAC name

N-[(4-chlorophenyl)methyl]-4-(35-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide

SMILES

Cc(n(CCCC(NCc(cc1)ccc1Cl)=O)nc1C)c1[N+]([O-])=O

InChI

InChI=1S/C16H19ClN4O3/c1-11-16(21(23)24)12(2)20(19-11)9-3-4-15(22)18-10-13-5-7-14(17)8-6-13/h5-8H,3-4,9-10H2,1-2H3,(H,18,22)

InChI Key

ACPHMFWAXKFNFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723450

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

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.725

Distribution Coefficient, logD

1.725

Water Solubility, LogSw

-2.81

Polar Surface Area

71.750

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C163-0297 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

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 C163-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C163-0297?
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What is the minimum amount of C163-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C163-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C163-0297
  • 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 C163-0297 available by request