C163-0116 Screening compound: N-(3,4-dichlorophenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide

C163-0116 Screening compound: N-(3,4-dichlorophenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
C163-0116 Screening compound: N-(3,4-dichlorophenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C163-0116
N-(3,4-dichlorophenyl)-4-(5-methyl-3-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

C163-0116

Molecular Formula

C14H14Cl2N4O3 (C14 H14 Cl2 N4 O3)

Compound Name

N-(3,4-dichlorophenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide

IUPAC name

N-(34-dichlorophenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide

SMILES

Cc1cc([N+]([O-])=O)nn1CCCC(Nc(cc1)cc(Cl)c1Cl)=O

InChI

InChI=1S/C14H14Cl2N4O3/c1-9-7-13(20(22)23)18-19(9)6-2-3-14(21)17-10-4-5-11(15)12(16)8-10/h4-5,7-8H,2-3,6H2,1H3,(H,17,21)

InChI Key

SRCYSKFLQAGIDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.2

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

2.646

Distribution Coefficient, logD

2.602

Water Solubility, LogSw

-3.49

Polar Surface Area

70.140

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C163-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C163-0116?
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What is the minimum amount of C163-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C163-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C163-0116
  • 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 C163-0116 available by request