C163-0129 Screening compound: N-(2-chloro-4-nitrophenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide

C163-0129 Screening compound: N-(2-chloro-4-nitrophenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
C163-0129 Screening compound: N-(2-chloro-4-nitrophenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C163-0129
N-(2-chloro-4-nitrophenyl)-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

C163-0129

Molecular Formula

C14H14ClN5O5 (C14 H14 ClN5 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc([N+]([O-])=O)nn1CCCC(Nc(ccc([N+]([O-])=O)c1)c1Cl)=O

InChI

InChI=1S/C14H14ClN5O5/c1-9-7-13(20(24)25)17-18(9)6-2-3-14(21)16-12-5-4-10(19(22)23)8-11(12)15/h4-5,7-8H,2-3,6H2,1H3,(H,16,21)

InChI Key

ZFRIWIIQBJEYEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08106014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.75

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.414

Distribution Coefficient, logD

1.020

Water Solubility, LogSw

-2.74

Polar Surface Area

102.824

Acid Dissociation Constant (pKa)

7.23

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C163-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C163-0129?
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What is the minimum amount of C163-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C163-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C163-0129
  • 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 C163-0129 available by request