C163-0039 Screening compound: 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide

C163-0039 Screening compound: 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
C163-0039 Screening compound: 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C163-0039
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(trifluoromethyl)phenyl]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

C163-0039

Molecular Formula

C15H14ClF3N4O3 (C15 H14 ClF3 N4 O3)

Compound Name

4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide

IUPAC name

4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide

SMILES

Cc(n(CCCC(Nc1c(C(F)(F)F)cccc1)=O)nc1[N+]([O-])=O)c1Cl

InChI

InChI=1S/C15H14ClF3N4O3/c1-9-13(16)14(23(25)26)21-22(9)8-4-7-12(24)20-11-6-3-2-5-10(11)15(17,18)19/h2-3,5-6H,4,7-8H2,1H3,(H,20,24)

InChI Key

ZONQBNDXGIQLAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.75

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

2.404

Distribution Coefficient, logD

2.404

Water Solubility, LogSw

-3.81

Polar Surface Area

69.688

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C163-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C163-0039?
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What is the minimum amount of C163-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C163-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C163-0039
  • 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 C163-0039 available by request